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Compound Detail

CHEMBL1530966

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CC(=O)c1c2c3c(c(Br)ccc3n(C)c1=O)C(=O)c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1530966
Phase Preclinical
Structure Type MOL
InChI Key MNAVICYELNNYSX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.2
MW (Da)
3.72
ALogP
4
HBA
0
HBD
56.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12BrNO3
MW 382.21
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.03

Activity Summary

IC50 2 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
 IC50 4.43 4.385 37520.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 37520.0 nM 4.43 PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... -
Polyadenylate-binding protein 1 IC50 = 45800.0 nM 4.34 PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA... -

Data from ChEMBL 36 via Core Engine