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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibacterials, nalidixic acid derivatives | 1864 | 124858-35-1 |
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| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.25 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.54 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 6.04 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,EIF2AK3,GRK2,ITK,MAPK7,PDK1,PDK2,PDK4,PRKDC | 9 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK9,DYRK1B,EIF2AK3,EPHB4,GRK2,MAPK7,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK | 18 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | D10AF05 | DERMATOLOGICALS ANTI-ACNE PREPARATIONS ANTI-ACNE PREPARATIONS FOR TOPICAL USE Antiinfectives for treatment of acne |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D059003 | Topoisomerase Inhibitors |
| MeSH PA | D059005 | Topoisomerase II Inhibitors |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acne vulgaris | indication | 88616000 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.03 | acidic |
| pKa2 | 3.1 | Basic |
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| ID | Source |
|---|---|
| D01147 | KEGG_DRUG |
| CHEBI:31889 | CHEBI |
| CHEMBL363449 | ChEMBL_ID |
| C062127 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12919 | IUPHAR_LIGAND_ID |
| DB12447 | DRUGBANK_ID |
| 6CL9Y5YZEQ | UNII |
| 007854 | NDDF |
| 698260001 | SNOMEDCT_US |
| C0286402 | UMLSCUI |
| 6702 | INN_ID |
| 4410 | PUBCHEM_CID |
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