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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 143 | 156053-89-3 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.10 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 2 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.81 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 6 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.43 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 5.84 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.20 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 5.30 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.226 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 4.395 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.596 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 4.677 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 22.460 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 18.740 | % | High | 1 |
| herg | hERG pIC50 | 4.817 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.381 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 5.521 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 24.700 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1,ZAP70 | 25 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,EIF2AK3,EPHB4,GRK2,MAP2K6,PIK3CD,TEK,TGFBR1 | 10 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.535 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 26.792 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 23.770 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.014 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 26.910 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 15.524 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 79.740 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 24.280 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 901.571 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 20, 2008 | FDA | CUBIST PHARMS |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | A06AH02 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR CONSTIPATION DRUGS FOR CONSTIPATION Peripheral opioid receptor antagonists |
| FDA MoA | N0000000154 | Opioid Antagonists |
| MeSH PA | D005765 | Gastrointestinal Agents |
| FDA EPC | N0000175691 | Opioid Antagonist |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50503 | laxative |
| CHEBI has role | CHEBI:55324 | gastrointestinal drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Postoperative ileus | indication | 235833007 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Hepatic failure | contraindication | 59927004 | |
| Chronic renal failure syndrome | contraindication | 90688005 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.38 | acidic |
| pKa2 | 9.82 | acidic |
| pKa3 | 9.22 | Basic |
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Patent number | Patent expiration date | Patent use |
|---|---|---|---|---|---|---|---|---|---|---|
| 12MG **Federal Register determination that product was not discontinued or withdrawn for safety or effectiveness reasons** | ENTEREG | CUBIST PHARMS | N021775 | May 20, 2008 | DISCN | CAPSULE | ORAL | 8946262 | Feb. 12, 2030 | A METHOD TO ACCELERATE THE TIME TO GASTROINTESTINAL RECOVERY BY ADMINISTERING ABOUT 12 MG OF ALVIMOPAN TO THE PATIENT FROM ABOUT 30 TO 60 MINUTES PRIOR TO SURGERY |
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | GPCR | ANTAGONIST | Ki | 9.40 | WOMBAT-PK | CHEMBL | |||
| Kappa-type opioid receptor | GPCR | Ki | 7 | CHEMBL | |||||
| Delta-type opioid receptor | GPCR | Ki | 7.92 | CHEMBL | |||||
| Kappa-type opioid receptor | GPCR | Ki | 8.30 | CHEMBL |
| ID | Source |
|---|---|
| 4025232 | VUID |
| N0000179783 | NUI |
| D02878 | KEGG_DRUG |
| 170098-38-1 | SECONDARY_CAS_RN |
| 1516803 | RXNORM |
| C1508750 | UMLSCUI |
| CHEBI:135686 | CHEBI |
| NG0 | PDB_CHEM_ID |
| CHEMBL270190 | ChEMBL_ID |
| DB06274 | DRUGBANK_ID |
| C419502 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5488548 | PUBCHEM_CID |
| 7471 | IUPHAR_LIGAND_ID |
| 677C126AET | UNII |
| 136917 | MMSL |
| 25351 | MMSL |
| 341264 | MMSL |
| d07141 | MMSL |
| 8245 | INN_ID |
| 4025232 | VANDF |
| 012792 | NDDF |
| 437886007 | SNOMEDCT_US |
| 437917007 | SNOMEDCT_US |
| 677C126AET | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Alvimopan | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0054-0668 | CAPSULE | 12 mg | ORAL | ANDA | 25 sections |
| ALVIMOPAN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0254-3012 | CAPSULE | 12 mg | ORAL | ANDA | 26 sections |
| Alvimopan | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0591-2312 | CAPSULE | 12 mg | ORAL | ANDA | 26 sections |
| Alvimopan | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51407-870 | CAPSULE | 12 mg | ORAL | ANDA | 25 sections |