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Compound Detail

CHEMBL1528507

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COc1ccc(Nc2ncnc3ccc(C)cc23)cc1

Basic Information

ChEMBL ID CHEMBL1528507
Phase Preclinical
Structure Type MOL
InChI Key DGKCFCAEKHZWMW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.69
ALogP
4
HBA
1
HBD
47.0
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 C16H15N3O
MW 265.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.20

Activity Summary

IC50 3 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.58 5.58 2615.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 5.4 5.4 3973.0 1
Tegument protein VP16
CHEMBL4218
IC50 5.08 5.08 8403.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine