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Compound Detail

CHEMBL3675784

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Clc1cc(Cl)c2[nH]c(-c3ccccn3)nc2c1

Basic Information

ChEMBL ID CHEMBL3675784
Phase Preclinical
Structure Type MOL
InChI Key YKAMBPYFJNVYOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

264.1
MW (Da)
3.93
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7Cl2N3
MW 264.12
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Core-binding factor subunit beta
CHEMBL1615386
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine