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Compound Detail

CHEMBL4515996

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Cc1ccc(C)n1-c1ccccc1/C=C/C(=O)O

Basic Information

ChEMBL ID CHEMBL4515996
Phase Preclinical
Structure Type MOL
InChI Key ZQSSCBJDFLLZNT-MDZDMXLPSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
3.19
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO2
MW 241.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.47

Activity Summary

EC50 2 meas. best 4.41
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MM1.S
CHEMBL4296471
EC50 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MM1.S EC50 = 39000.0 nM 4.41 Cytotoxic activity against human MM1S cells assessed as reduction in cell viabil... -

Data from ChEMBL 36 via Core Engine