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Compound Detail

CHEMBL1608481

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COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1

Basic Information

ChEMBL ID CHEMBL1608481
Phase Preclinical
Structure Type MOL
InChI Key ISPYAMDRPOSHQY-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.30
ALogP
4
HBA
1
HBD
71.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O3
MW 387.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.68

Activity Summary

EC50 1 meas. best 4.6
IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.88 4.88 13100.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.6 4.6 25113.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine