IMARIKIREN HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1NE31CW68S

Structure
InChI Key PUXOYQIZZIWCHH-NSLUPJTDSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Renin 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 - - -

Cross References

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