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Compound Detail

CHEMBL1469272

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C[N+]1=C2c3ccccc3N=CN2CC1.[I-]

Basic Information

ChEMBL ID CHEMBL1469272
Phase Preclinical
Structure Type MOL
InChI Key KZWFURVTGVQJEK-UHFFFAOYSA-M
Parent Compound CHEMBL1621304
Active Moiety CHEMBL1621304
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
1.06
ALogP
2
HBA
0
HBD
18.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12IN3
MW 313.14
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.35 5.35 4470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 4470.0 nM 5.35 PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... -

Data from ChEMBL 36 via Core Engine