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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2045 | 544-31-0 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 57 | |||
| kinase-selectivity-class | ACVRL1,AKT2,AXL,CAMK2A,CAMK2D,CDK4,CSNK2A2,EIF2AK3,EPHB4,FLT4,GRK2,INSR,MAP2K6,MAPK7,MAPK8,MTOR,PDK4,PDPK1,PLK1,PLK2,PLK3,PLK4,PRKCD,PTK2,SIK2,STK33,TEK,TTK | 28 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Body tinea | 293.51 | 253.00 | 45 | 1005 | 2103 | 90625294 |
| Inhibitory drug interaction | 268.96 | 253.00 | 44 | 1006 | 3119 | 90624278 |
| Infection susceptibility increased | 266.39 | 253.00 | 45 | 1005 | 3881 | 90623516 |
| Poor quality sleep | 262.77 | 253.00 | 60 | 990 | 24633 | 90602764 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Body tinea | 295.84 | 230.30 | 44 | 996 | 2071 | 110586188 |
| Infection susceptibility increased | 263.65 | 230.30 | 44 | 996 | 4354 | 110583905 |
| Inhibitory drug interaction | 251.59 | 230.30 | 43 | 997 | 4904 | 110583355 |
| Poor quality sleep | 251.20 | 230.30 | 57 | 983 | 28020 | 110560239 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D000998 | Antiviral Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D063385 | Cannabinoid Receptor Modulators |
| MeSH PA | D063386 | Cannabinoid Receptor Agonists |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:35472 | anti-inflammatory drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35623 | anticonvulsant |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.71 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | GPCR | Ki | 5.30 | PDSP | |||||
| Cannabinoid receptor 2 | GPCR | Ki | 5.30 | PDSP | |||||
| G-protein coupled receptor 55 | GPCR | AGONIST | EC50 | 8.40 | IUPHAR | ||||
| Fatty-acid amide hydrolase 1 | Enzyme | IC50 | 5.30 | CHEMBL |
| ID | Source |
|---|---|
| D08328 | KEGG_DRUG |
| C0069964 | UMLSCUI |
| CHEBI:71464 | CHEBI |
| CHEMBL417675 | ChEMBL_ID |
| DB14043 | DRUGBANK_ID |
| C005958 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4671 | PUBCHEM_CID |
| 871 | INN_ID |
| 6R8T1UDM3V | UNII |
| 2001986 | RXNORM |
| 011010 | NDDF |
| 1290108000 | SNOMEDCT_US |
| 6R8T1UDM3V | INXIGHT DRUGS |
None