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Compound Detail

CHEMBL127663

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O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127663
Phase Preclinical
Structure Type MOL
InChI Key XGFMGWXZDORELA-XCZPVHLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
4.60
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N2O4
MW 480.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00042-R Calpain 1 1

Data from ChEMBL 36 via Core Engine