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Compound Detail

CHEMBL3646229

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COC(=O)CNC(=O)c1ncc(-c2cccc(-c3nnn[nH]3)c2)cc1O

Basic Information

ChEMBL ID CHEMBL3646229
Phase Preclinical
Structure Type MOL
InChI Key YSPBNSRKQJFWJL-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
0.54
ALogP
8
HBA
3
HBD
143.0
PSA (Ų)
0.56
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 C16H14N6O4
MW 354.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.32

Activity Summary

IC50 4 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 5.58 5.58 2600.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine