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Compound Detail

CHEMBL3190665

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COc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1OC

Basic Information

ChEMBL ID CHEMBL3190665
Phase Preclinical
Structure Type MOL
InChI Key DJDHTRULUUTXOC-FYJGNVAPSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.36
ALogP
6
HBA
0
HBD
61.3
PSA (Ų)
0.50
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 C20H17N3O3
MW 347.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.50

Activity Summary

IC50 2 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.43 5.43 3706.0 1
Protein Rev
CHEMBL1293282
IC50 4.25 4.25 56122.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine