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Compound Detail

CHEMBL3646114

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Cc1cn(-c2c[nH]n(-c3ccccn3)c2=O)cn1

Basic Information

ChEMBL ID CHEMBL3646114
Phase Preclinical
Structure Type MOL
InChI Key HDGJCJKLXAAWBY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.05
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N5O
MW 241.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN2
CHEMBL3028
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN2 IC50 = 2000.0 nM 5.7 Inhibition Assay: Hydroxylated HIF bonds specifically to the von Hippel-Lindau p... -

Data from ChEMBL 36 via Core Engine