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Compound Detail

CHEMBL1562954

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C[n+]1cnn2c1SCC1(COC1)C2.[I-]

Basic Information

ChEMBL ID CHEMBL1562954
Phase Preclinical
Structure Type MOL
InChI Key XZTPQVGYUGROIQ-UHFFFAOYSA-M
Parent Compound CHEMBL1624838
Active Moiety CHEMBL1624838
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

198.3
MW (Da)
-0.17
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.54
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 C8H12IN3OS
MW 325.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.34 5.34 4585.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyadenylate-binding protein 1 IC50 = 4585.0 nM 5.34 PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... -

Data from ChEMBL 36 via Core Engine