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Compound Detail

CHEMBL5983379

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CCc1cc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)cc2c1n(C)c(=O)n2C

Basic Information

ChEMBL ID CHEMBL5983379
Phase Preclinical
Structure Type MOL
InChI Key SQFFQFGFAPBGLZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
4.86
ALogP
6
HBA
0
HBD
48.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F2N5O
MW 451.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CREB-binding protein
CHEMBL5747
IC50 7.96 7.96 11.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine