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| Stem definition | Drug id | CAS RN |
|---|---|---|
| angiotensin-converting enzyme inhibitors | 1827 | 103775-10-6 |
| Dose | Unit | Route |
|---|---|---|
| 15 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 13 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| CL (Clearance) | 6.30 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.12 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.30 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 32 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.008 | High | 0.80 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 17.660 | High | 0.80 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.413 | 10^-6 cm/s | High | 0.80 |
| dh-clint | Dog hepatocyte intrinsic clearance | 9.057 | uL/min/10^6 cells | High | 0.80 |
| dppb | Dog plasma protein binding (% unbound) | 9.980 | % | High | 0.80 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 19.200 | % | High | 0.80 |
| herg | hERG pIC50 | 4.145 | pIC50 | High | 0.80 |
| hh-clint | Human hepatocyte intrinsic clearance | 24.889 | uL/min/10^6 cells | High | 0.80 |
| hlm-clint | Human liver microsomal intrinsic clearance | 20.324 | uL/min/mg protein | High | 0.80 |
| hppb | Human plasma protein binding (% unbound) | 11.300 | % | High | 0.80 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP2K6,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 | 31 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,EPHB4,GRK2,MAP2K6,PDK4,PRKDC | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.460 | High | 0.80 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 51.642 | High | 0.80 | |
| mppb | Mouse plasma protein binding (% unbound) | 8.050 | High | 0.80 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 8.710 | High | 0.80 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 13.410 | % | High | 0.80 |
| rh-clint | Rat hepatocyte intrinsic clearance | 110.662 | uL/min/10^6 cells | High | 0.80 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 76.430 | % | High | 0.80 |
| rppb | Rat plasma protein binding (% unbound) | 6.580 | % | High | 0.80 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 924.698 | uM | High | 0.80 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 19, 1995 | FDA | UCB INC |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C09AA13 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, PLAIN ACE inhibitors, plain |
| ATC | C09BA13 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, COMBINATIONS ACE inhibitors and diuretics |
| FDA MoA | N0000000181 | Angiotensin-converting Enzyme Inhibitors |
| FDA EPC | N0000175562 | Angiotensin Converting Enzyme Inhibitor |
| 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:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Chronic heart failure | off-label use | 48447003 | |
| Atrial fibrillation | off-label use | 49436004 | DOID:0060224 |
| Diabetic renal disease | off-label use | 127013003 | |
| Diastolic heart failure | off-label use | 418304008 | DOID:9775 |
| Nondiabetic Proteinuric Nephropathy | off-label use | ||
| Anuria | contraindication | 2472002 | DOID:2983 |
| Hypercholesterolemia | contraindication | 13644009 | |
| Hyperkalemia | contraindication | 14140009 | |
| Jaundice | contraindication | 18165001 | |
| Secondary angle-closure glaucoma | contraindication | 21571006 | |
| Acute vomiting | contraindication | 23971007 | |
| Hypovolemia | contraindication | 28560003 | |
| Acute cerebrovascular insufficiency | contraindication | 29322000 | |
| Dehydration | contraindication | 34095006 | |
| Hyperuricemia | contraindication | 35885006 | DOID:1920 |
| Angioedema | contraindication | 41291007 | DOID:1558 |
| Hypokalemia | contraindication | 43339004 | |
| Low blood pressure | contraindication | 45007003 | |
| Systemic lupus erythematosus | contraindication | 55464009 | DOID:9074 |
| Sympathectomy | contraindication | 57071006 | |
| Aortic valve stenosis | contraindication | 60573004 | DOID:1712 |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Hyperparathyroidism | contraindication | 66999008 | DOID:13543 |
| Hypochloremic alkalosis | contraindication | 70134007 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Hyponatremia | contraindication | 89627008 | |
| Gout | contraindication | 90560007 | DOID:13189 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Disorder of connective tissue | contraindication | 105969002 | DOID:65 |
| Liver function tests abnormal | contraindication | 166603001 | |
| Hypomagnesemia | contraindication | 190855004 | |
| Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Neonatal hyperbilirubinemia | contraindication | 281610001 | |
| Pregnancy, function | contraindication | 289908002 | |
| Renal artery stenosis | contraindication | 302233006 | |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Bone marrow depression | contraindication | 307762000 | |
| Severe diarrhea | contraindication | 409587002 | |
| Myocardial ischemia | contraindication | 414795007 | DOID:3393 |
| Azotemia | contraindication | 445009001 | |
| Hemodialysis with High-Flux Membrane | contraindication | ||
| Intestinal Angioedema | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.08 | acidic |
| pKa2 | 5.72 | 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 | 8.59 | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4023996 | VUID |
| N0000022001 | NUI |
| D00623 | KEGG_DRUG |
| 82586-52-5 | SECONDARY_CAS_RN |
| 4020925 | VANDF |
| 4023996 | VANDF |
| C0066685 | UMLSCUI |
| CHEBI:6960 | CHEBI |
| CHEMBL1165 | ChEMBL_ID |
| CHEMBL1200534 | ChEMBL_ID |
| DB00691 | DRUGBANK_ID |
| C058302 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6571 | IUPHAR_LIGAND_ID |
| 6266 | INN_ID |
| WT87C52TJZ | UNII |
| 91270 | PUBCHEM_CID |
| DB14210 | DRUGBANK_ID |
| 1546358 | RXNORM |
| 46760 | MMSL |
| 5126 | MMSL |
| d03835 | MMSL |
| 005006 | NDDF |
| 005007 | NDDF |
| 108566003 | SNOMEDCT_US |
| 108567007 | SNOMEDCT_US |
| 373442003 | SNOMEDCT_US |
| C0209137 | UMLSCUI |
| CHEMBL1201405 | ChEMBL_ID |
| 103775-14-0 | SECONDARY_CAS_RN |
| 55331 | PUBCHEM_CID |
| 6572 | IUPHAR_LIGAND_ID |
| 6946 | INN_ID |
| C059506 | MESH_SUPPLEMENTAL_RECORD_UI |
| H3753190JS | UNII |
| CHEBI:749423 | CHEBI |
| H3753190JS | INXIGHT DRUGS |
| WT87C52TJZ | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Univasc | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0091-3707 | TABLET, FILM COATED | 7.50 mg | ORAL | NDA | 20 sections |
| Univasc | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0091-3715 | TABLET, FILM COATED | 15 mg | ORAL | NDA | 20 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0093-0017 | TABLET, FILM COATED | 7.50 mg | ORAL | ANDA | 25 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0093-5150 | TABLET, FILM COATED | 15 mg | ORAL | ANDA | 25 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-4883 | TABLET | 15 mg | ORAL | ANDA | 12 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-5928 | TABLET | 7.50 mg | ORAL | ANDA | 12 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 62135-967 | TABLET, FILM COATED | 7.50 mg | ORAL | ANDA | 12 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 62135-969 | TABLET, FILM COATED | 15 mg | ORAL | ANDA | 12 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68151-1472 | TABLET, FILM COATED | 7.50 mg | ORAL | ANDA | 25 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68151-1473 | TABLET, FILM COATED | 15 mg | ORAL | ANDA | 25 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68462-208 | TABLET, FILM COATED | 15 mg | ORAL | ANDA | 25 sections |
| Moexipril Hydrochloride | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68462-209 | TABLET, FILM COATED | 7.50 mg | ORAL | ANDA | 25 sections |