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Compound Detail

CHEMBL3675783

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OCc1cc2nc(-c3ccccn3)[nH]c2cc1Cl

Basic Information

ChEMBL ID CHEMBL3675783
Phase Preclinical
Structure Type MOL
InChI Key JNHGWDSZYWTPSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.7
MW (Da)
2.77
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.74
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 C13H10ClN3O
MW 259.70
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Core-binding factor subunit beta
CHEMBL1615386
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine