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Compound Detail

CHEMBL1377588

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CCOC(=O)c1ccc2c(c1)[n+](CCO)c(C)n2CC.[I-]

Basic Information

ChEMBL ID CHEMBL1377588
Phase Preclinical
Structure Type MOL
InChI Key NJNIZQXWGUDYQQ-UHFFFAOYSA-M
Parent Compound CHEMBL1618760
Active Moiety CHEMBL1618760
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.43
ALogP
4
HBA
1
HBD
55.3
PSA (Ų)
0.66
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 C15H21IN2O3
MW 404.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.48 5.48 3290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 3290.0 nM 5.48 PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... -

Data from ChEMBL 36 via Core Engine