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| Stem definition | Drug id | CAS RN |
|---|---|---|
| angiotensin-converting enzyme inhibitors | 2866 | 81872-10-8 |
| Dose | Unit | Route |
|---|---|---|
| 30 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 65 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKDC,STK33,SYK,TEK,TTK,ZAP70 | 40 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,EPHB4,ERBB2,GRK2,MAP2K6,STK33,TEK | 9 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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 |
|---|---|---|---|---|---|---|
| Drug interaction | 116.88 | 39.78 | 65 | 1351 | 276388 | 90350643 |
| Vascular stent thrombosis | 100.12 | 39.78 | 17 | 1399 | 1099 | 90625932 |
| Bradycardia | 95.16 | 39.78 | 39 | 1377 | 83808 | 90543223 |
| Hyponatraemic syndrome | 67.28 | 39.78 | 11 | 1405 | 563 | 90626468 |
| Syncope | 52.52 | 39.78 | 30 | 1386 | 132633 | 90494398 |
| Herbal interaction | 48.37 | 39.78 | 7 | 1409 | 158 | 90626873 |
| Hallucination, gustatory | 45.42 | 39.78 | 6 | 1410 | 67 | 90626964 |
| Hyperhidrosis | 43.93 | 39.78 | 27 | 1389 | 136278 | 90490753 |
| Psychogenic visual disorder | 43.41 | 39.78 | 5 | 1411 | 15 | 90627016 |
| Muscle contracture | 42.87 | 39.78 | 9 | 1407 | 1812 | 90625219 |
| 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 |
|---|---|---|---|---|---|---|
| Drug interaction | 112.53 | 38.45 | 74 | 997 | 266925 | 42353339 |
| Enzyme inhibition | 57.95 | 38.45 | 8 | 1063 | 76 | 42620188 |
| Initial insomnia | 45.47 | 38.45 | 12 | 1059 | 4018 | 42616246 |
| Blood glucose fluctuation | 43.93 | 38.45 | 12 | 1059 | 4575 | 42615689 |
| 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 |
|---|---|---|---|---|---|---|
| Drug interaction | 213.75 | 31.68 | 136 | 2423 | 500047 | 110086693 |
| Bradycardia | 90.94 | 31.68 | 52 | 2507 | 155465 | 110431275 |
| Vascular stent thrombosis | 71.11 | 31.68 | 17 | 2542 | 4144 | 110582596 |
| Hyponatraemic syndrome | 65.78 | 31.68 | 12 | 2547 | 785 | 110585955 |
| Ventricular arrhythmia | 60.51 | 31.68 | 18 | 2541 | 10069 | 110576671 |
| Enzyme inhibition | 53.80 | 31.68 | 8 | 2551 | 145 | 110586595 |
| Hypertensive crisis | 48.46 | 31.68 | 19 | 2540 | 24353 | 110562387 |
| Hallucination, gustatory | 42.98 | 31.68 | 6 | 2553 | 68 | 110586672 |
| Syncope | 40.24 | 31.68 | 35 | 2524 | 202501 | 110384239 |
| Blood glucose fluctuation | 38.73 | 31.68 | 12 | 2547 | 7686 | 110579054 |
| Psychogenic visual disorder | 38.24 | 31.68 | 5 | 2554 | 33 | 110586707 |
| Pulmonary interstitial emphysema syndrome | 36.88 | 31.68 | 7 | 2552 | 568 | 110586172 |
| Hallucination, olfactory | 36.65 | 31.68 | 7 | 2552 | 587 | 110586153 |
| Herbal interaction | 36.29 | 31.68 | 7 | 2552 | 619 | 110586121 |
| Muscle contracture | 35.46 | 31.68 | 9 | 2550 | 2799 | 110583941 |
| Initial insomnia | 35.19 | 31.68 | 12 | 2547 | 10377 | 110576363 |
| Apraxia | 33.39 | 31.68 | 9 | 2550 | 3531 | 110583209 |
| Inferior vena cava dilatation | 33.25 | 31.68 | 7 | 2552 | 960 | 110585780 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C09AA15 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, PLAIN ACE inhibitors, plain |
| ATC | C09BA15 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, COMBINATIONS ACE inhibitors and diuretics |
| ATC | C09BB14 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, COMBINATIONS ACE inhibitors and calcium channel blockers |
| ATC | C09BX07 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, COMBINATIONS ACE inhibitors, other combinations |
| 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:35620 | vasodilator agent |
| CHEBI has role | CHEBI:35623 | anticonvulsant |
| CHEBI has role | CHEBI:50266 | prodrug |
| CHEBI has role | CHEBI:68494 | apoptosis inhibitor |
| CHEBI has role | CHEBI:77307 | cardioprotective agent |
| CHEBI has role | CHEBI:49103 | drug metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.94 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Enzyme | INHIBITOR | IC50 | 9.40 | CHEMBL | SCIENTIFIC LITERATURE | |||
| Angiotensin-converting enzyme | Enzyme | Ki | 9.40 | CHEMBL | |||||
| Angiotensin-converting enzyme | Enzyme | IC50 | 8.10 | CHEMBL |
| ID | Source |
|---|---|
| D03767 | KEGG_DRUG |
| C0078836 | UMLSCUI |
| CHEBI:78539 | CHEBI |
| ZED | PDB_CHEM_ID |
| CHEMBL331378 | ChEMBL_ID |
| CHEMBL2105776 | ChEMBL_ID |
| DB13166 | DRUGBANK_ID |
| C044958 | MESH_SUPPLEMENTAL_RECORD_UI |
| 92400 | PUBCHEM_CID |
| 6462 | IUPHAR_LIGAND_ID |
| 5535 | INN_ID |
| 81938-43-4 | SECONDARY_CAS_RN |
| 290ZY759PI | UNII |
| DB08766 | DRUGBANK_ID |
| 259493 | RXNORM |
| 008183 | NDDF |
| 008184 | NDDF |
| 703340007 | SNOMEDCT_US |
| 703341006 | SNOMEDCT_US |
| 703342004 | SNOMEDCT_US |
| 703662000 | SNOMEDCT_US |
| 703663005 | SNOMEDCT_US |
| C0085065 | UMLSCUI |
| CHEMBL16332 | ChEMBL_ID |
| 75176-37-3 | SECONDARY_CAS_RN |
| 3034048 | PUBCHEM_CID |
| 6463 | IUPHAR_LIGAND_ID |
| 6599 | INN_ID |
| 4G4WDK2YBS | UNII |
| CHEBI:82602 | CHEBI |
| 290ZY759PI | INXIGHT DRUGS |
| 4G4WDK2YBS | INXIGHT DRUGS |
None