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Compound Detail

CHEMBL1400103

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CCOc1ccccc1NC(=O)Nc1ccc(OC)nc1

Basic Information

ChEMBL ID CHEMBL1400103
Phase Preclinical
Structure Type MOL
InChI Key NZPJYPUIAUITOK-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.13
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.89
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 C15H17N3O3
MW 287.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.35

Activity Summary

EC50 2 meas. best 4.53
IC50 1 meas. best 4.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.53 4.53 29512.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.5 4.5 31618.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.45 4.45 35900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine