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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 331 | 63-12-7 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 36 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 | 41 | |||
| kinase-selectivity-class | AXL,BRAF,EPHB4,GRK2,MAP2K6,PRKDC,TEK | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| March 12, 1974 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35717 | sedative |
| CHEBI has role | CHEBI:37955 | H<small><sub>1</sub></small>-receptor antagonist |
| CHEBI has role | CHEBI:48876 | muscarinic antagonist |
| CHEBI has role | CHEBI:50919 | antiemetic |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Postoperative nausea and vomiting | indication | 1488000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.72 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | GPCR | AGONIST | Ki | 5.40 | IUPHAR | CHEMBL | |||
| D(3) dopamine receptor | GPCR | Ki | 5.45 | PDSP | |||||
| Prostaglandin G/H synthase 2 | Enzyme | INHIBITOR | IC50 | 8.32 | IUPHAR | ||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 5.87 | SCIENTIFIC LITERATURE | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.16 | SCIENTIFIC LITERATURE | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 6.26 | SCIENTIFIC LITERATURE | |||||
| D(4) dopamine receptor | GPCR | Ki | 6.24 | PDSP |
| ID | Source |
|---|---|
| 4019629 | VUID |
| N0000147722 | NUI |
| D00243 | KEGG_DRUG |
| 23844-24-8 | SECONDARY_CAS_RN |
| 19041 | RXNORM |
| C0053284 | UMLSCUI |
| CHEBI:27662 | CHEBI |
| CHEMBL1201250 | ChEMBL_ID |
| CHEMBL1200707 | ChEMBL_ID |
| DB00767 | DRUGBANK_ID |
| C100234 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2342 | PUBCHEM_CID |
| 7124 | IUPHAR_LIGAND_ID |
| 1402 | INN_ID |
| 113-69-9 | SECONDARY_CAS_RN |
| 0475EA27Q3 | UNII |
| 4018510 | VANDF |
| 4019629 | VANDF |
| 001683 | NDDF |
| 004681 | NDDF |
| 13659003 | SNOMEDCT_US |
| 400718006 | SNOMEDCT_US |
| 0475EA27Q3 | INXIGHT DRUGS |
None