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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quinoline derivatives | 3095 | 72-80-0 |
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | V |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GSK3B,IKBKB,ITK,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 46 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PDK4,PIK3CD,SIK2,TEK,TGFBR1 | 13 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | D08AH02 | DERMATOLOGICALS ANTISEPTICS AND DISINFECTANTS ANTISEPTICS AND DISINFECTANTS Quinoline derivatives |
| ATC | G01AC03 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Quinoline derivatives |
| ATC | P01AA04 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES Hydroxyquinoline derivatives |
| ATC | R02AA11 | RESPIRATORY SYSTEM THROAT PREPARATIONS THROAT PREPARATIONS Antiseptics |
| FDA CS | M0000728 | Allergens |
| MeSH PA | D000890 | Anti-Infective Agents |
| FDA PE | N0000175629 | Increased Histamine Release |
| FDA PE | N0000184306 | Cell-mediated Immunity |
| FDA EPC | N0000185508 | Standardized Chemical Allergen |
| CHEBI has role | CHEBI:35820 | antiprotozoal drug |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:48218 | antiseptic drug |
| CHEBI has role | CHEBI:171664 | antiamoebic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.59 | acidic |
| pKa2 | 3.04 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | Enzyme | IC50 | 5 | CHEMBL |
| ID | Source |
|---|---|
| N0000166918 | NUI |
| D07208 | KEGG_DRUG |
| C0008292 | UMLSCUI |
| CHEBI:74500 | CHEBI |
| CHEMBL224325 | ChEMBL_ID |
| DB13306 | DRUGBANK_ID |
| D002750 | MESH_DESCRIPTOR_UI |
| 6301 | PUBCHEM_CID |
| 215 | INN_ID |
| D6VHC87LLS | UNII |
| 2407 | RXNORM |
| 002899 | NDDF |
| 255863008 | SNOMEDCT_US |
| 411197006 | SNOMEDCT_US |
None