FT8
Omapatrilat
Find entries where: FT8
is present as a standalone ligand in 4 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | Omapatrilat |
| Identifiers | (4~{S},7~{S},10~{a}~{S})-5-oxidanylidene-4-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10~{a}-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid |
| Formula | C19 H24 N2 O4 S2 |
| Molecular Weight | 408.535 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S |
| InChI | InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1 |
| InChIKey | LVRLSYPNFFBYCZ-VGWMRTNUSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 51 |
| Chiral Atom Count | 4 |
| Bond Count | 53 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB00886? |
|---|---|
| Name | Omapatrilat |
| Groups | investigational |
| Description | Omapatrilat is an investigational drug that inhibits both neutral endopeptidase (NEP) and angiotensin converting enzyme (ACE). The inhibition of NEP elevates natriuretic peptide levels, increasing excretion of sodium in urine, dilating blood vessels, and reducing preload and ventricular remodeling. This drug from BMS was not approved by the FDA due to angioedema safety concerns. |
| Synonyms |
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| Indication | For the treatment of hypertension. |
| Categories |
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| CAS number | 167305-00-2 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Neprilysin | MGKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYA... | unknown | |
| Angiotensin-converting enzyme | MGAASGRRGPGLLLPLPLLLLLPPQPALALDPGLQPGNFSADEAGAQLFA... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL289556 |
| PubChem | 656629 |
| ChEMBL | CHEMBL289556 |
| ChEBI | CHEBI:135660 |
