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| Stem definition | Drug id | CAS RN |
|---|---|---|
| endopeptidase inhibitors | 1989 | 167305-00-2 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 30 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 | 21 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,MAP2K6 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000075563 | Vasopeptidase Inhibitors |
| 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 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.38 | acidic |
| pKa2 | 7.71 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Enzyme | Ki | 8.22 | CHEMBL | |||||
| Neprilysin | Enzyme | Ki | 8.05 | CHEMBL | |||||
| Amyloid beta A4 protein | Membrane other | IC50 | 6.70 | CHEMBL | |||||
| Angiotensin-converting enzyme | Enzyme | IC50 | 8.30 | CHEMBL | |||||
| Neprilysin | Enzyme | IC50 | 8.10 | CHEMBL |
| ID | Source |
|---|---|
| D01970 | KEGG_DRUG |
| 4025254 | VANDF |
| C0663645 | UMLSCUI |
| CHEBI:135660 | CHEBI |
| FT8 | PDB_CHEM_ID |
| CHEMBL289556 | ChEMBL_ID |
| DB00886 | DRUGBANK_ID |
| C106266 | MESH_SUPPLEMENTAL_RECORD_UI |
| 656629 | PUBCHEM_CID |
| 7714 | INN_ID |
| 36NLI90E7T | UNII |
| 36NLI90E7T | INXIGHT DRUGS |
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