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Compound Detail

CHEMBL1489550

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CC1CN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1

Basic Information

ChEMBL ID CHEMBL1489550
Phase Preclinical
Structure Type MOL
InChI Key WUMYVNAGGQHXJW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.7
MW (Da)
2.61
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.81
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 C15H14Cl3N3O2
MW 374.66
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.01

Activity Summary

IC50 2 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-2-related protein A1
CHEMBL1293239
IC50 5.71 5.435 1950.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine