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

CHEMBL4127542

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
O=C(O)CNC(=O)c1ncc(-c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127542
Phase Preclinical
Structure Type MOL
InChI Key ITOHCVOMZJCQTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.3
MW (Da)
1.93
ALogP
7
HBA
3
HBD
130.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14F3N5O4
MW 421.34
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 6.12 6.12 759.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 759.4 nM 6.12 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