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Compound Detail

CHEMBL1429377

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Cc1cccn2c(=O)c3cc(C(=O)N(C)C)n(C)c3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1429377
Phase Preclinical
Structure Type MOL
InChI Key XWOWIEZKHDMQNX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
1.20
ALogP
5
HBA
0
HBD
59.6
PSA (Ų)
0.67
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 C15H16N4O2
MW 284.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
 IC50 4.41 4.41 39300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 39300.0 nM 4.41 PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... -

Data from ChEMBL 36 via Core Engine