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Compound Detail

CHEMBL3646107

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Cc1ccnc(-n2[nH]cc(-n3ccnn3)c2=O)c1

Basic Information

ChEMBL ID CHEMBL3646107
Phase Preclinical
Structure Type MOL
InChI Key OCFRILXPXYIVOK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
0.45
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.71
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 C11H10N6O
MW 242.24
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN2
CHEMBL3028
IC50 6.47 6.47 340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN2 IC50 = 340.0 nM 6.47 Inhibition Assay: Hydroxylated HIF bonds specifically to the von Hippel-Lindau p... -

Data from ChEMBL 36 via Core Engine