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Compound Detail

CHEMBL5758923

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C/C=C/Cn1cc(-c2cc(C(=O)NCc3cncnc3)ccc2OC)c2cc(C)[nH]c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5758923
Phase Preclinical
Structure Type MOL
InChI Key PPFUIVDWRYGXAS-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
3.61
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N5O3
MW 443.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 9
CHEMBL3108640
 IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 9 IC50 = 3.0 nM 8.52 IC50 measurements for inhibitors using BRD9 AlphaLisa Binding Assay: His/Flag ep... -

Data from ChEMBL 36 via Core Engine