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Compound Detail

CHEMBL4554011

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COc1cc(-n2c(C)ccc2C)c(Cl)cc1C(=O)O

Basic Information

ChEMBL ID CHEMBL4554011
Phase Preclinical
Structure Type MOL
InChI Key PEGLUVLYZWHJAX-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

279.7
MW (Da)
3.45
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.94
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 C14H14ClNO3
MW 279.72
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.93

Activity Summary

EC50 2 meas. best 10.84
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MM1.S
CHEMBL4296471
EC50 10.84 10.84 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MM1.S EC50 = 0.0146 nM 10.84 Cytotoxic activity against human MM1S cells assessed as reduction in cell viabil... -

Data from ChEMBL 36 via Core Engine