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Compound Detail

CHEMBL496775

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CNc1cc(-c2[nH]c(-c3ccc(F)c(NC)c3)c3c2C2CCC3C2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496775
Phase Preclinical
Structure Type MOL
InChI Key XDLLXWRQCJWCFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
6.08
ALogP
2
HBA
3
HBD
39.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F2N3
MW 379.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
18023931 10.1016/j.ejmech.2007.09.028 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine