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

CHEMBL4756482

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
Cc1cccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)c1

Basic Information

ChEMBL ID CHEMBL4756482
Phase Preclinical
Structure Type MOL
InChI Key MPIKHYNCFSTHJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.3
MW (Da)
1.34
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O5
MW 340.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.9 6.9 125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 125.0 nM 6.9 Inhibition of FITC-HIF1alpha (556 to 574 residues) binding to PHD2 (181 to 426 r... 32787144

Literature References

PubMed DOI Target Context # Activities
32787144 10.1021/acs.jmedchem.0c01161 Unchecked 1
32787144 10.1021/acs.jmedchem.0c01161 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine