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| Stem definition | Drug id | CAS RN |
|---|---|---|
| tricyclic compounds | 856 | 4498-32-2 |
| Dose | Unit | Route |
|---|---|---|
| 0.30 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 25 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,KIT,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 57 | |||
| kinase-selectivity-class | ACVR2B,AXL,CAMK2D,MAPK7,PDK4,SIK2,STK33,TTK | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N06AA08 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Non-selective monoamine reuptake inhibitors |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D000929 | Antidepressive Agents, Tricyclic |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.1 | Basic |
| pKa2 | 6.19 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 5.60 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 5.14 | CHEMBL | |||||
| D(2) dopamine receptor | GPCR | Ki | 4.52 | CHEMBL | |||||
| Sodium-dependent serotonin transporter | Transporter | Ki | 4.96 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 6 | GPCR | Ki | 5.48 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | Ki | 4.91 | CHEMBL | |||||
| Histamine H1 receptor | GPCR | Ki | 7.70 | CHEMBL |
| ID | Source |
|---|---|
| D01314 | KEGG_DRUG |
| 236807 | RXNORM |
| C0012029 | UMLSCUI |
| CHEBI:93394 | CHEBI |
| CHEMBL1442422 | ChEMBL_ID |
| DB13225 | DRUGBANK_ID |
| CHEMBL2104287 | ChEMBL_ID |
| C084605 | MESH_SUPPLEMENTAL_RECORD_UI |
| 9419 | PUBCHEM_CID |
| 1738 | INN_ID |
| 315-80-0 | SECONDARY_CAS_RN |
| 510SJZ1Y6L | UNII |
| 006897 | NDDF |
| 006898 | NDDF |
| 32757009 | SNOMEDCT_US |
| CHEMBL99486 | ChEMBL_ID |
| 510SJZ1Y6L | INXIGHT DRUGS |
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