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Compound Detail

CHEMBL489723

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Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489723
Phase Preclinical
Structure Type MOL
InChI Key SRJOZHCSQLJGDA-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
1.12
ALogP
4
HBA
3
HBD
108.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O4
MW 369.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
18396356 10.1016/j.ejmech.2008.02.023 Calpain-1 catalytic subunit 1

Data from ChEMBL 36 via Core Engine