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Compound Detail

CHEMBL1324692

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CC1=CC(C)C(CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)C(C)C1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1324692
Phase Preclinical
Structure Type MOL
InChI Key OWLZYACQJGWPNT-UHFFFAOYSA-N
Parent Compound CHEMBL1616558
Active Moiety CHEMBL1616558
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.6
MW (Da)
4.86
ALogP
1
HBA
1
HBD
32.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H38IN3O
MW 499.48
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.07

Activity Summary

IC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
 IC50 5.39 5.39 4075.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 4075.0 nM 5.39 PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... -

Data from ChEMBL 36 via Core Engine