General Information of the Compound
Compound ID
CP0209437
Compound Name
CHEBI:8024
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Synonyms
(2S)-2-[(1S)-1-Carbethoxybutylamino]-1-oxopropyl-(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid
ACEON
Aceon (TN)
Acertil (TN)
Armix (TN)
Coverene (TN)
Coverene Cor
Coverex
Coverex (TN)
Coversum
Coversum (TN)
Coversyl
Cpd with unspecified MF
DW-7950
Ethyl N-{(2S)-1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norvalinate
McN-A-2833
Perindopril
Perindopril (USAN/INN)
Prestarium
Prestarium (TN)
Prexanil (TN)
Prexum (TN)
Procaptan (TN)
S-9490
SED-9490
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Structure
Formula
C19H32N2O5
Molecular Weight
368.474
Canonical SMILES
CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC
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InChI
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1
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InChIKey
IPVQLZZIHOAWMC-QXKUPLGCSA-N
CAS
82834-16-0
Physicochemical Property
logP
1.9406
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 40466996
SID: 14755214
ChEMBL ID
CHEMBL1581
DrugBank ID
DB00790
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 32642.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Perindopril )
Drug Name Perindopril
Indication
Hypertension
Approved
Target(s)
Angiotensin-converting enzyme (ACE)
Inhibitor