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Compound Detail

CHEMBL1344772

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COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL1344772
Phase Preclinical
Structure Type MOL
InChI Key IATCOYWEZCHKTF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
3.18
ALogP
6
HBA
3
HBD
109.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O5
MW 419.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic translation initiation factor 4H
CHEMBL1293274
IC50 5.62 5.62 2410.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.28 4.28 52600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine