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Compound Detail

CHEMBL4635496

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C/C=C/Cn1cc(-c2cc(OC)c(C(=O)N3CCOCC3)cc2OC)c2cc[nH]c2c1=O

Basic Information

ChEMBL ID CHEMBL4635496
Phase Preclinical
Structure Type MOL
InChI Key PMWIFIWWNULSSP-SNAWJCMRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
3.06
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O5
MW 437.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.54

Activity Summary

Kd 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 9
CHEMBL3108640
Kd 8.7 8.7 2.0 1
Bromodomain-containing protein 7
CHEMBL3085622
Kd 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 7 1
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 9 1

Data from ChEMBL 36 via Core Engine