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Compound Detail

CHEMBL1987546

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Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1

Basic Information

ChEMBL ID CHEMBL1987546
Phase Preclinical
Structure Type MOL
InChI Key XWEIYTPGPYQXED-UDWIEESQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.8
MW (Da)
5.00
ALogP
4
HBA
0
HBD
42.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12ClN3O
MW 321.77
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -2.02

Activity Summary

IC50 2 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.59 5.59 2594.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.23 4.23 59230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine