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Compound Detail

CHEMBL4789825

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O=C(O)CNC(=O)c1ncc(C#CCOc2cccc3ccccc23)cc1O

Basic Information

ChEMBL ID CHEMBL4789825
Phase Preclinical
Structure Type MOL
InChI Key JOGJTHWJRLWWOS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
2.19
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.59
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 C21H16N2O5
MW 376.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.46 6.46 346.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 346.0 nM 6.46 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 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine