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Compound Detail

CHEMBL491899

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CC(=O)c1c(Nc2ccc(Cl)cc2F)[nH]c2c(Cl)ccc(C)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491899
Phase Preclinical
Structure Type MOL
InChI Key ZOKOBEQQPDPBLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
5.23
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl2FN2O2
MW 379.22
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
19419206 10.1021/jm8014734 Calpain-1 catalytic subunit 2
22326397 10.1016/j.bmcl.2012.01.011 Unchecked 1

Data from ChEMBL 36 via Core Engine