Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
Select a question to fill the search bar, then submit it or edit it first.
AI can make mistakes. Verify answers against the original sources before relying on them.
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 355 | 3440-28-6 |
| Dose | Unit | Route |
|---|---|---|
| 2 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Bocci G, Oprea TI, Benet LZ |
| EoM (Fraction excreted unchanged in urine) | 98 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 73.94 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.28 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 9.20 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.17 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.59 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.992 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.989 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 5.212 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.404 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 49.420 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 62.940 | % | High | 1 |
| herg | hERG pIC50 | 4.301 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.746 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.228 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 47.640 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK | 39 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,EIF2AK3,GRK2,PIK3CD | 7 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.608 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 0.885 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 89.050 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.247 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 68.430 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 0.940 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 91.550 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 58.490 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 914.113 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1993 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DH55 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Carbapenems |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.08 | acidic |
| pKa2 | 12.18 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Transporter | Ki | 4.62 | WOMBAT-PK | |||||
| Solute carrier family 22 member 8 | Transporter | Ki | 4.32 | WOMBAT-PK |
| ID | Source |
|---|---|
| D01331 | KEGG_DRUG |
| C0208283 | UMLSCUI |
| CHEBI:31278 | CHEBI |
| BYA | PDB_CHEM_ID |
| CHEMBL1231530 | ChEMBL_ID |
| 71651 | PUBCHEM_CID |
| C047207 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6741 | INN_ID |
| 3W0M245736 | UNII |
| 3W0M245736 | INXIGHT DRUGS |
None