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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quinoline derivatives | 2664 | 5541-67-3 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR1B,ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 46 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,EIF2AK3,GRK2,STK33 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | P01AA30 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES Hydroxyquinoline derivatives |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.34 | acidic |
| pKa2 | 4.52 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Catechol O-methyltransferase | Enzyme | IC50 | 4.35 | CHEMBL |
| ID | Source |
|---|---|
| C0049301 | UMLSCUI |
| CHEBI:134789 | CHEBI |
| CHEMBL1410814 | ChEMBL_ID |
| 71208 | PUBCHEM_CID |
| 5009 | INN_ID |
| 813OG1OGVG | UNII |
| 15850 | RXNORM |
| 005355 | NDDF |
| 735056008 | SNOMEDCT_US |
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