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Compound Detail

CHEMBL4126684

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O=C(O)CNC(=O)c1ncc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1O

Basic Information

ChEMBL ID CHEMBL4126684
Phase Preclinical
Structure Type MOL
InChI Key DFIFXMWFTUQOCB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.8
MW (Da)
1.50
ALogP
7
HBA
3
HBD
130.2
PSA (Ų)
0.62
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 C16H12ClN5O4
MW 373.76
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 5.82 5.82 1507.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 1507.0 nM 5.82 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