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Compound Detail

CHEMBL6010385

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CNC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1

Basic Information

ChEMBL ID CHEMBL6010385
Phase Preclinical
Structure Type MOL
InChI Key LYBZIHSZOAZZAK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.5
MW (Da)
3.09
ALogP
8
HBA
2
HBD
113.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27FN8O2
MW 478.53
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.99

Activity Summary

IC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CREB-binding protein
CHEMBL5747
IC50 8.3 8.3 5.0 1
Bromodomain-containing protein 4
CHEMBL1163125
IC50 4.75 4.75 17990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine