IMARIKIREN HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 1NE31CW68S

Structure

InChI Key PUXOYQIZZIWCHH-NSLUPJTDSA-N
Smiles COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21.Cl
InChI
InChI=1S/C27H41N5O4.ClH/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3;/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3;1H/t21-,22+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H42ClN5O4
Molecular Weight 536.12
AlogP 2.4
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 88.93
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Renin inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 2.1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.1 - - -

Target Conservation

Protein: Renin
Description: Renin
Organism : Homo sapiens
P00797 ENSG00000143839

Cross References

Resources Reference
ChEMBL CHEMBL3969876
FDA SRS 1NE31CW68S
PubChem 56591871
SureChEMBL SCHEMBL2217236
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