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Compound Detail

CHEMBL4746856

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N#Cc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1

Basic Information

ChEMBL ID CHEMBL4746856
Phase Preclinical
Structure Type MOL
InChI Key JBBMSDZVWYQTCV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
0.90
ALogP
6
HBA
3
HBD
132.5
PSA (Ų)
0.68
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 C18H13N3O5
MW 351.32
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.58 6.58 263.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 263.0 nM 6.58 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