Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3646126

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC1CCCN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3646126
Phase Preclinical
Structure Type MOL
InChI Key QAYFFINJEBFRDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
0.76
ALogP
8
HBA
1
HBD
93.9
PSA (Ų)
0.75
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 C16H19N7O2
MW 341.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN2
CHEMBL3028
 IC50 6.16 6.16 690.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl hydroxylase EGLN2 IC50 = 690.0 nM 6.16 Inhibition Assay: Hydroxylated HIF bonds specifically to the von Hippel-Lindau p... -

Data from ChEMBL 36 via Core Engine