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Compound Detail

CHEMBL1376540

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Cc1ccc(C(=O)NC2(O)C(=O)c3ccccc3C2=O)cc1C

Basic Information

ChEMBL ID CHEMBL1376540
Phase Preclinical
Structure Type MOL
InChI Key TVSOMCJVQKDEQZ-UHFFFAOYSA-N
8
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
1.80
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO4
MW 309.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.39

Activity Summary

IC50 8 meas. best 6.06
EC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SUMO-activating enzyme
CHEMBL2095174
IC50 6.06 5.65 870.0 2
Sentrin-specific protease 6
CHEMBL1741215
IC50 5.46 5.46 3480.0 1
Sentrin-specific protease 7
CHEMBL1741213
IC50 5.36 5.36 4400.0 1
Sentrin-specific protease 8
CHEMBL1741207
IC50 5.31 5.31 4890.0 1
Apoptotic protease-activating factor 1
CHEMBL1795093
IC50 5.29 5.29 5130.0 1
Tyrosyl-DNA phosphodiesterase 2
CHEMBL2169736
IC50 5.24 5.24 5743.0 1
Unchecked
CHEMBL612545
IC50 5.11 5.11 7710.0 1
Protein RecA
CHEMBL1741171
EC50 4.8 4.8 15900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine