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Compound Detail

CHEMBL3646121

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Cc1cnc(-n2[nH]cc(-n3ccnc3)c2=O)cc1C

Basic Information

ChEMBL ID CHEMBL3646121
Phase Preclinical
Structure Type MOL
InChI Key ZHJHZGVKHJEUEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
1.36
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.75
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 C13H13N5O
MW 255.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN2
CHEMBL3028
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN2 IC50 = 2800.0 nM 5.55 Inhibition Assay: Hydroxylated HIF bonds specifically to the von Hippel-Lindau p... -

Data from ChEMBL 36 via Core Engine