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Compound Detail

CHEMBL1718610

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Cn1c(=O)c2nc(COc3ccccc3)[nH]c2n(C)c1=O

Basic Information

ChEMBL ID CHEMBL1718610
Phase Preclinical
Structure Type MOL
InChI Key QIQXXFPSAXJCFM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
0.54
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N4O3
MW 286.29
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.06

Activity Summary

IC50 2 meas. best 4.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.53 4.5 29710.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine