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| Stem definition | Drug id | CAS RN |
|---|---|---|
| angiotensin-converting enzyme inhibitors | 1006 | 76420-72-9 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 60 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.91 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 40 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.38 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.60 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.62 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 39 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 14 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.165 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.446 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.233 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.123 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 89.490 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 78.410 | % | High | 1 |
| herg | hERG pIC50 | 4.409 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.496 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.258 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 89.380 | % | High | 1 |
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.337 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.333 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 2.564 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 96.870 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.249 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 91.340 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.003 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 0.818 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 91.850 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 88.860 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 907.821 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 9, 1988 | FDA | BIOVAIL LABS INTL |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Angioedema | 50.89 | 43.28 | 13 | 90 | 42464 | 42578768 |
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000806 | Angiotensin-Converting Enzyme Inhibitors |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D011480 | Protease Inhibitors |
| CHEBI has role | CHEBI:35457 | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Congestive heart failure | indication | 42343007 | DOID:6000 |
| Asymptomatic left ventricular systolic dysfunction | indication | 698592004 | |
| Angioedema | contraindication | 41291007 | DOID:1558 |
| Hereditary angioneurotic edema | contraindication | 82966003 | DOID:14735 |
| Idiopathic angioedema | contraindication | 402382008 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.12 | acidic |
| pKa2 | 3.14 | acidic |
| pKa3 | 8.3 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Enzyme | INHIBITOR | IC50 | 7.50 | IUPHAR | IUPHAR | |||
| Angiotensin-converting enzyme | Enzyme | Ki | 8.85 | CHEMBL | |||||
| Angiotensin-converting enzyme | Enzyme | IC50 | 9.02 | CHEMBL | |||||
| Angiotensin-converting enzyme 2 | Enzyme | Ki | 9.30 | CHEMBL | |||||
| Angiotensin-converting enzyme | Enzyme | IC50 | 7.94 | CHEMBL |
| ID | Source |
|---|---|
| 4019497 | VUID |
| N0000147617 | NUI |
| D03769 | KEGG_DRUG |
| 4019497 | VANDF |
| C0014027 | UMLSCUI |
| CHEBI:4786 | CHEBI |
| CHEMBL3989406 | ChEMBL_ID |
| DB09477 | DRUGBANK_ID |
| D015773 | MESH_DESCRIPTOR_UI |
| 5462501 | PUBCHEM_CID |
| 6332 | IUPHAR_LIGAND_ID |
| 84680-54-6 | SECONDARY_CAS_RN |
| 2672730 | RXNORM |
| 37933 | MMSL |
| 4657 | MMSL |
| 004369 | NDDF |
| 007388 | NDDF |
| 1013031000202101 | SNOMEDCT_US |
| 414092003 | SNOMEDCT_US |
| 48052001 | SNOMEDCT_US |
| EAL | PDB_CHEM_ID |
| GV0O7ES0R3 | UNII |
| GV0O7ES0R3 | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Enalaprilat | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-9786 | INJECTION | 2.50 mg | INTRAVENOUS | ANDA | 23 sections |
| Enalaprilat | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-9787 | INJECTION | 1.25 mg | INTRAVENOUS | ANDA | 23 sections |
| Enalaprilat | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43598-078 | INJECTION | 1.25 mg | INTRAVENOUS | ANDA | 23 sections |
| Enalaprilat | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43598-169 | INJECTION | 2.50 mg | INTRAVENOUS | ANDA | 23 sections |
| ENALAPRILAT | HUMAN PRESCRIPTION DRUG LABEL | 1 | 51662-1477 | INJECTION | 1.25 mg | INTRAVENOUS | ANDA | 13 sections |