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Compound Detail

CHEMBL1380143

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C=CCn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C

Basic Information

ChEMBL ID CHEMBL1380143
Phase Preclinical
Structure Type MOL
InChI Key BQEYVDDGYNNMTQ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
1.55
ALogP
7
HBA
0
HBD
71.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15FN4O3
MW 330.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.60

Activity Summary

IC50 3 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.47 5.47 3362.0 1
Tegument protein VP16
CHEMBL4218
IC50 5.07 5.07 8465.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 4.99 4.99 10174.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine