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Compound Detail

CHEMBL1868523

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CC1=CC(=O)C=CC1=Nc1ccc(N(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1868523
Phase Preclinical
Structure Type MOL
InChI Key IUCMTDKRLIEOCH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.91
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2O
MW 240.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 4.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
 IC50 4.21 4.21 61600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 61600.0 nM 4.21 PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA... -

Data from ChEMBL 36 via Core Engine