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Compound Detail

CHEMBL3646125

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CC1CCN(c2cc(-n3[nH]cc(-n4ccnn4)c3=O)ncn2)CC1

Basic Information

ChEMBL ID CHEMBL3646125
Phase Preclinical
Structure Type MOL
InChI Key RKCNYWUNTZBUJJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
0.77
ALogP
8
HBA
1
HBD
97.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N8O
MW 326.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN2
CHEMBL3028
IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN2 IC50 = 360.0 nM 6.44 Inhibition Assay: Hydroxylated HIF bonds specifically to the von Hippel-Lindau p... -

Data from ChEMBL 36 via Core Engine