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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antimicrobials, dihydrofolate reductase (DHFR) inhibitors, trimethoprim analogues | 4573 | 192314-93-5 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 41 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,ERBB2,GRK2,MAP3K21,MAPK7,PDK2,PDK4,PIK3CA,PIK3CD,PIK3CG,PRKDC | 13 | |||
| kinase-selectivity-class | ACVR2B,AXL,EIF2AK3,MAP3K21,PIK3CD,PRKDC | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | J01EA03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE SULFONAMIDES AND TRIMETHOPRIM Trimethoprim and derivatives |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005493 | Folic Acid Antagonists |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:50683 | EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.01 | Basic |
| pKa2 | 0.6 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Enzyme | Ki | 6.11 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 5.62 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8.15 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | IC50 | 8.15 | CHEMBL | |||||
| Dihydrofolate reductase | Enzyme | Ki | 10.10 | CHEMBL |
| ID | Source |
|---|---|
| D08337 | KEGG_DRUG |
| CHEMBL134561 | ChEMBL_ID |
| CHEMBL2105645 | ChEMBL_ID |
| C486448 | MESH_SUPPLEMENTAL_RECORD_UI |
| 10820 | IUPHAR_LIGAND_ID |
| 8315 | INN_ID |
| 474793-41-4 | SECONDARY_CAS_RN |
| DB06358 | DRUGBANK_ID |
| 42445HUU0O | UNII |
| 725576004 | SNOMEDCT_US |
| C3654387 | UMLSCUI |
| 213043 | PUBCHEM_CID |
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