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Compound Detail

CHEMBL3930668

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COC(=O)c1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3930668
Phase Preclinical
Structure Type MOL
InChI Key RYAGEVXEBUGPAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
3.84
ALogP
5
HBA
0
HBD
55.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN3O2
MW 327.77
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.93

Activity Summary

EC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T47D
CHEMBL614361
 EC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T47D EC50 = 6.0 nM 8.22 Induction of apoptosis in human T47D cells assessed as caspase cascade activatio... -

Data from ChEMBL 36 via Core Engine