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Compound Detail

CHEMBL1439185

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CC1(C)c2ccccc2-n2c1cc1oc(=O)cc(O)c1c2=O

Basic Information

ChEMBL ID CHEMBL1439185
Phase Preclinical
Structure Type MOL
InChI Key FWVULZVPJPVTMT-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
2.29
ALogP
5
HBA
1
HBD
72.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NO4
MW 295.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.51

Activity Summary

EC50 1 meas.
IC50 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calpain-2 catalytic subunit
CHEMBL4143
IC50 5.99 5.99 1018.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Calpain-2 catalytic subunit IC50 = 1018.61 nM 5.99 PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... -

Data from ChEMBL 36 via Core Engine