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Compound Detail

CHEMBL4757255

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CN(CC#Cc1cnc(C(=O)NCC(=O)O)c(O)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4757255
Phase Preclinical
Structure Type MOL
InChI Key FMLMAZYUTBIGMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
1.09
ALogP
5
HBA
3
HBD
102.8
PSA (Ų)
0.70
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 C18H17N3O4
MW 339.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 6.34 6.34 454.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 454.0 nM 6.34 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