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| Stem definition | Drug id | CAS RN |
|---|---|---|
| thromboxane A2 receptor antagonists, antiasthmatics | 2432 | 112665-43-7 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.194 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.809 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 86.099 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 36.475 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 2.130 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 7.170 | % | High | 1 |
| herg | hERG pIC50 | 4.462 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 18.239 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 4.256 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 2.260 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 52 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 20 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.202 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 123.595 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 3.990 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.782 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 3.820 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 89.125 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 78.130 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 1.070 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 845.279 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | R03DX06 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Other systemic drugs for obstructive airway diseases |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D006727 | Hormone Antagonists |
| MeSH PA | D011448 | Prostaglandin Antagonists |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.85 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | GPCR | IC50 | 8.13 | CHEMBL |
| ID | Source |
|---|---|
| D01123 | KEGG_DRUG |
| C0050339 | UMLSCUI |
| CHEBI:32126 | CHEBI |
| CHEMBL70972 | ChEMBL_ID |
| DB06739 | DRUGBANK_ID |
| C060230 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2449 | PUBCHEM_CID |
| 7069 | INN_ID |
| 4U58JM421N | UNII |
| 1201970002 | SNOMEDCT_US |
| 4U58JM421N | INXIGHT DRUGS |
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