IMARIKIREN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 01IC75R817

Structure
InChI Key RHIBAIKQWJNESW-YADHBBJMSA-N
Smile COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21
InChI
InChI=1S/C27H41N5O4/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/t21-,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H41N5O4
Molecular Weight 499.66
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 0-1 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3990145
FDA SRS 01IC75R817
PDB 6VU
PubChem 44554894
SureChEMBL SCHEMBL1423171
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