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Compound Detail

CHEMBL4451640

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C#N)Cc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4451640
Phase Preclinical
Structure Type MOL
InChI Key LKMPXTLDWDJBDQ-FPOVZHCZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
3.28
ALogP
5
HBA
3
HBD
111.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N3O4
MW 409.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
30571121 10.1021/acs.jmedchem.8b01466 ATP-dependent Clp protease proteolytic subunit 2

Data from ChEMBL 36 via Core Engine