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

CHEMBL4126047

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
O=C(O)CNC(=O)c1ncc(-c2cn(Cc3ccc(Br)cc3)nn2)cc1O

Basic Information

ChEMBL ID CHEMBL4126047
Phase Preclinical
Structure Type MOL
InChI Key ZGTNBWZDZZMIPI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.2
MW (Da)
1.67
ALogP
7
HBA
3
HBD
130.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrN5O4
MW 432.23
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.51 6.51 308.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 308.3 nM 6.51 Inhibition of HIF-PHD2 (181 to 426 residues) (unknown origin) using FITC-HIF1-al... 29856623

Literature References

PubMed DOI Target Context # Activities
29856623 10.1021/acs.jmedchem.8b00549 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine