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| Stem definition | Drug id | CAS RN |
|---|---|---|
| analogues of penicillanic acid antibiotics modified in the five-membered ring | 365 | 120410-24-4 |
| Dose | Unit | Route |
|---|---|---|
| 1.20 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 53 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 24.46 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.20 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.50 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.92 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.10 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,IGF1R,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TTK,ZAP70 | 46 | |||
| kinase-selectivity-class | GRK2,MAP2K6,PDK1 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 2002 | YEAR INTRODUCED |
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| Source | Code | Description |
|---|---|---|
| ATC | J01DH05 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Carbapenems |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| MeSH PA | D000890 | Anti-Infective Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.26 | acidic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Penicillin-binding protein 2 | Enzyme | WOMBAT-PK | |||||||
| Penicillin-binding protein 4 | Enzyme | WOMBAT-PK | |||||||
| D-ala-D-ala-carboxypeptidase; D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase family protein; Penicillin-binding protein 5 | Enzyme | WOMBAT-PK | |||||||
| Penicillin-binding protein 1 | Enzyme | WOMBAT-PK | |||||||
| D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6 | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| D01057 | KEGG_DRUG |
| C1642582 | UMLSCUI |
| CHEBI:3089 | CHEBI |
| CHEMBL285347 | ChEMBL_ID |
| DB13028 | DRUGBANK_ID |
| C065257 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71339 | PUBCHEM_CID |
| 12022 | IUPHAR_LIGAND_ID |
| 7074 | INN_ID |
| YR5U3L9ZH1 | UNII |
| 725572002 | SNOMEDCT_US |
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