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Compound Detail

CHEMBL5423850

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CCOC(=O)Nc1cc(C(=O)NC2CCCC2)cc2c(C(C)=O)c(C)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5423850
Phase Preclinical
Structure Type MOL
InChI Key JJZVZJVOXOGYOI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.92
ALogP
4
HBA
3
HBD
100.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O4
MW 371.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 5.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.74 5.74 1829.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1829.0 nM 5.74 Inhibition of His-tagged human recombinant BRPF1B bromodomain using biotinylated... 37951134

Literature References

PubMed DOI Target Context # Activities
37951134 10.1016/j.bmc.2023.117440 Unchecked 1

Data from ChEMBL 36 via Core Engine