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Compound Detail

CHEMBL2135835

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Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2135835
Phase Preclinical
Structure Type MOL
InChI Key JBGKVNQFVAJOGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
3.42
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12O3
MW 240.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 1.01

Activity Summary

IC50 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.95 4.95 11310.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11310.1 nM 4.95 PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... -

Data from ChEMBL 36 via Core Engine