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Compound Detail

CHEMBL1423915

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CCOc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1423915
Phase Preclinical
Structure Type MOL
InChI Key XVPGMZXAKDYHBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.69
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O4
MW 354.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.73 5.73 1850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 1850.0 nM 5.73 PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... -

Data from ChEMBL 36 via Core Engine