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Compound Detail

CHEMBL3675773

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CC(C)Oc1ccc2nc(-c3ccccn3)[nH]c2c1

Basic Information

ChEMBL ID CHEMBL3675773
Phase Preclinical
Structure Type MOL
InChI Key UBERTIXSCZJSJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.41
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.78
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 C15H15N3O
MW 253.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Core-binding factor subunit beta
CHEMBL1615386
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine