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Class: Drug

Pharmaceutical compound (DrugBank model). ALS-approved drugs: Riluzole, Edaravone, Tofersen, AMX0035. Includes mechanism, targets, side effects.

URI: biolink:Drug

 classDiagram
    class Drug
    click Drug href "../Drug/"
      ChemicalEntity <|-- Drug
        click ChemicalEntity href "../ChemicalEntity/"

      Drug : als_approved

      Drug : chembl_id

      Drug : comment

      Drug : definition

      Drug : drug_name

      Drug : drug_type

      Drug : drugbank_id

      Drug : id

      Drug : inchi_key

      Drug : indication

      Drug : ingest_date

      Drug : is_obsolete

      Drug : label

      Drug : last_updated

      Drug : mechanism

      Drug : smiles

      Drug : source

      Drug : source_version

      Drug : synonym

      Drug : trial_status

      Drug : xref

Inheritance

Class Properties

Property Value
Class URI biolink:Drug

Slots

Name Cardinality and Range Description Inheritance
drugbank_id 1
DrugBankIdentifier		 direct
drug_name 0..1
String		 Preferred drug name direct
chembl_id 0..1
String		 ChEMBL compound ID direct
inchi_key 0..1
String		 Standard InChIKey hash direct
smiles 0..1
String		 Canonical SMILES string direct
drug_type 0..1
String		 Categorization (small molecule, biologic, ASO, cell therapy, gene therapy) direct
als_approved 0..1
Boolean		 FDA approval status for ALS treatment direct
trial_status 0..1
String		 Highest clinical trial phase reached direct
mechanism 0..1
String		 Known mechanism of action direct
indication 0..1
String		 Clinical indication direct
source_version 0..1
String		 Source database/ontology version OntologyClass
ingest_date 0..1
String		 When entity was imported into ALS-KG OntologyClass
id 1
String		 Persistent unique identifier (IRI) NamedEntity
label 1
String		 Preferred human-readable label NamedEntity
definition 0..1
String		 Formal textual definition NamedEntity
synonym 0..1
String		 Alternative names NamedEntity
xref 0..1
String		 Cross-references to external ontologies NamedEntity
comment 0..1
String		 Informal notes or comments NamedEntity
is_obsolete 0..1
String		 Deprecation flag NamedEntity
source 0..1
String		 Original source/database NamedEntity
last_updated 0..1
String		 Last modification timestamp NamedEntity

Usages

used by used in type used
DrugTargetAssociation has_drug range Drug
DrugDiseaseTherapeuticAssociation has_drug range Drug

Identifier and Mapping Information

Schema Source

  • from schema: https://cair2015.github.io/als-kg

Mappings

Mapping Type Mapped Value
self biolink:Drug
native alskb:Drug

LinkML Source

Direct

name: Drug
description: 'Pharmaceutical compound (DrugBank model). ALS-approved drugs: Riluzole,
  Edaravone, Tofersen, AMX0035. Includes mechanism, targets, side effects.'
from_schema: https://cair2015.github.io/als-kg
is_a: ChemicalEntity
attributes:
  drugbank_id:
    name: drugbank_id
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    identifier: true
    domain_of:
    - Drug
    range: DrugBankIdentifier
    required: true
  drug_name:
    name: drug_name
    description: Preferred drug name
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    slot_uri: schema:name
    domain_of:
    - Drug
  chembl_id:
    name: chembl_id
    description: ChEMBL compound ID
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
  inchi_key:
    name: inchi_key
    description: Standard InChIKey hash
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
  smiles:
    name: smiles
    description: Canonical SMILES string
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
  drug_type:
    name: drug_type
    description: Categorization (small molecule, biologic, ASO, cell therapy, gene
      therapy)
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
  als_approved:
    name: als_approved
    description: FDA approval status for ALS treatment
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
    range: boolean
  trial_status:
    name: trial_status
    description: Highest clinical trial phase reached
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
  mechanism:
    name: mechanism
    description: Known mechanism of action
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
    - DrugTargetAssociation
    - ExposureDiseaseAssociation
  indication:
    name: indication
    description: Clinical indication
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    domain_of:
    - Drug
class_uri: biolink:Drug

Induced

name: Drug
description: 'Pharmaceutical compound (DrugBank model). ALS-approved drugs: Riluzole,
  Edaravone, Tofersen, AMX0035. Includes mechanism, targets, side effects.'
from_schema: https://cair2015.github.io/als-kg
is_a: ChemicalEntity
attributes:
  drugbank_id:
    name: drugbank_id
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    identifier: true
    alias: drugbank_id
    owner: Drug
    domain_of:
    - Drug
    range: DrugBankIdentifier
    required: true
  drug_name:
    name: drug_name
    description: Preferred drug name
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    slot_uri: schema:name
    alias: drug_name
    owner: Drug
    domain_of:
    - Drug
    range: string
  chembl_id:
    name: chembl_id
    description: ChEMBL compound ID
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: chembl_id
    owner: Drug
    domain_of:
    - Drug
    range: string
  inchi_key:
    name: inchi_key
    description: Standard InChIKey hash
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: inchi_key
    owner: Drug
    domain_of:
    - Drug
    range: string
  smiles:
    name: smiles
    description: Canonical SMILES string
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: smiles
    owner: Drug
    domain_of:
    - Drug
    range: string
  drug_type:
    name: drug_type
    description: Categorization (small molecule, biologic, ASO, cell therapy, gene
      therapy)
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: drug_type
    owner: Drug
    domain_of:
    - Drug
    range: string
  als_approved:
    name: als_approved
    description: FDA approval status for ALS treatment
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: als_approved
    owner: Drug
    domain_of:
    - Drug
    range: boolean
  trial_status:
    name: trial_status
    description: Highest clinical trial phase reached
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: trial_status
    owner: Drug
    domain_of:
    - Drug
    range: string
  mechanism:
    name: mechanism
    description: Known mechanism of action
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: mechanism
    owner: Drug
    domain_of:
    - Drug
    - DrugTargetAssociation
    - ExposureDiseaseAssociation
    range: string
  indication:
    name: indication
    description: Clinical indication
    from_schema: https://cair2015.github.io/als-kg
    rank: 1000
    alias: indication
    owner: Drug
    domain_of:
    - Drug
    range: string
  source_version:
    name: source_version
    description: Source database/ontology version
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: dcterms:hasVersion
    alias: source_version
    owner: Drug
    domain_of:
    - OntologyClass
    - Association
    range: string
  ingest_date:
    name: ingest_date
    description: When entity was imported into ALS-KG
    from_schema: https://cair2015.github.io/als-kg
    alias: ingest_date
    owner: Drug
    domain_of:
    - OntologyClass
    - Relationship
    - Association
    range: string
  id:
    name: id
    description: Persistent unique identifier (IRI)
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: schema:identifier
    alias: id
    owner: Drug
    domain_of:
    - NamedEntity
    range: string
    required: true
  label:
    name: label
    description: Preferred human-readable label
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: rdfs:label
    alias: label
    owner: Drug
    domain_of:
    - NamedEntity
    range: string
    required: true
  definition:
    name: definition
    description: Formal textual definition
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: IAO:0000115
    alias: definition
    owner: Drug
    domain_of:
    - NamedEntity
    range: string
  synonym:
    name: synonym
    description: Alternative names
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: oboInOwl:hasRelatedSynonym
    alias: synonym
    owner: Drug
    domain_of:
    - NamedEntity
    range: string
  xref:
    name: xref
    description: Cross-references to external ontologies
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: oboInOwl:hasDbXref
    alias: xref
    owner: Drug
    domain_of:
    - NamedEntity
    range: string
  comment:
    name: comment
    description: Informal notes or comments
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: rdfs:comment
    alias: comment
    owner: Drug
    domain_of:
    - NamedEntity
    range: string
  is_obsolete:
    name: is_obsolete
    description: Deprecation flag
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: owl:deprecated
    ifabsent: 'false'
    alias: is_obsolete
    owner: Drug
    domain_of:
    - NamedEntity
    range: string
  source:
    name: source
    description: Original source/database
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: dcterms:source
    alias: source
    owner: Drug
    domain_of:
    - NamedEntity
    - Relationship
    - Association
    range: string
  last_updated:
    name: last_updated
    description: Last modification timestamp
    from_schema: https://cair2015.github.io/als-kg
    slot_uri: dcterms:modified
    alias: last_updated
    owner: Drug
    domain_of:
    - NamedEntity
    - Association
    range: string
class_uri: biolink:Drug