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Compound Detail

CHEMBL5436910

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CC(=O)c1c(C)[nH]c2c(N(C)C)cc(-c3ccccn3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5436910
Phase Preclinical
Structure Type MOL
InChI Key WDBNHMILYCTINH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.81
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O
MW 293.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.27 6.27 540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 540.0 nM 6.27 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 2
37951134 10.1016/j.bmc.2023.117440 BMMC 1

Data from ChEMBL 36 via Core Engine