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| Stem definition | Drug id | CAS RN |
|---|---|---|
| platelet aggregation inhibitors | 2043 | 82571-53-7 |
None
| Property | Value | Reference |
|---|---|---|
| CL (Clearance) | 8.38 mL/min/kg | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| Vd (Volume of distribution) | 0.62 L/kg | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 41 | |||
| kinase-selectivity-class | GRK2,MAP2K6,MAPK7,PRKDC | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005343 | Fibrinolytic Agents |
| MeSH PA | D006401 | Hematologic Agents |
| MeSH PA | D006633 | Histamine Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018494 | Histamine Agents |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Spasm of cerebral arteries | indication | 73173006 | |
| Asthma | indication | 195967001 | DOID:2841 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.37 | acidic |
| pKa2 | 6.36 | Basic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | Enzyme | IC50 | 7.96 | CHEMBL | |||||
| Thromboxane-A synthase | Enzyme | IC50 | 6.70 | CHEMBL |
| ID | Source |
|---|---|
| D01683 | KEGG_DRUG |
| 189224-26-8 | SECONDARY_CAS_RN |
| C0069392 | UMLSCUI |
| CHEBI:134938 | CHEBI |
| CHEMBL11662 | ChEMBL_ID |
| DB12017 | DRUGBANK_ID |
| 5282440 | PUBCHEM_CID |
| C034364 | MESH_SUPPLEMENTAL_RECORD_UI |
| 9866 | IUPHAR_LIGAND_ID |
| 5918 | INN_ID |
| 78712-43-3 | SECONDARY_CAS_RN |
| L256JB984D | UNII |
None