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Compound Detail

CHEMBL417673

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COc1ccc(C(=O)NCc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417673
Phase Preclinical
Structure Type MOL
InChI Key CPBKAVXCKPIAGQ-IHLOFXLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.44
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32N2O3
MW 480.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
10360744 10.1016/s0960-894x(99)00195-x Renin 1

Data from ChEMBL 36 via Core Engine