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Compound Detail

CHEMBL1362862

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COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1

Basic Information

ChEMBL ID CHEMBL1362862
Phase Preclinical
Structure Type MOL
InChI Key BNGSYLQFZPCEHU-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.31
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O3
MW 349.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.58

Activity Summary

EC50 2 meas. best 4.75
IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.75 4.75 17927.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.7 4.7 20000.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.54 4.54 29160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine