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Compound Detail

CHEMBL3115307

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O=C(O)CNC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(C(F)(F)F)nc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115307
Phase Preclinical
Structure Type MOL
InChI Key CYJHUVHEMIOHMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.8
MW (Da)
2.03
ALogP
7
HBA
3
HBD
134.4
PSA (Ų)
0.53
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 C18H12ClF3N4O5
MW 456.76
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 9.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 9.19 9.19 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 0.65 nM 9.19 Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cel... 23977883

Literature References

PubMed DOI Target Context # Activities
23977883 10.1021/jm400386j Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine