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Compound Detail

CHEMBL5904357

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CNC(=O)N1CCNc2ccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc2C1

Basic Information

ChEMBL ID CHEMBL5904357
Phase Preclinical
Structure Type MOL
InChI Key LRSKPTJETNZLSV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
4.68
ALogP
5
HBA
2
HBD
65.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28F2N6O
MW 466.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.69

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CREB-binding protein
CHEMBL5747
IC50 8.1 8.1 8.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine