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

CHEMBL4129956

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
Cc1ccc(-n2cc(-c3cnc(C(=O)NCC(=O)O)c(O)c3)nn2)cc1

Basic Information

ChEMBL ID CHEMBL4129956
Phase Preclinical
Structure Type MOL
InChI Key HXHKGEYKQOTQJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
1.16
ALogP
7
HBA
3
HBD
130.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N5O4
MW 353.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 5.16 5.16 6995.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 6995.0 nM 5.16 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