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Compound Detail

CHEMBL3646120

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CC(C)(C)COc1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3646120
Phase Preclinical
Structure Type MOL
InChI Key FWHYJTLHEDHRHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.57
ALogP
7
HBA
1
HBD
90.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N6O2
MW 314.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN2
CHEMBL3028
 IC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN2 IC50 = 190.0 nM 6.72 Inhibition Assay: Hydroxylated HIF bonds specifically to the von Hippel-Lindau p... -

Data from ChEMBL 36 via Core Engine