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Compound Detail

CHEMBL337601

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CC(=O)Nc1cc(-c2[nH]c(-c3ccc(F)c(NC(C)=O)c3)c3c2C2CCC3C2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337601
Phase Preclinical
Structure Type MOL
InChI Key BMXXNNZWXOAZBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
5.91
ALogP
2
HBA
3
HBD
74.0
PSA (Ų)
0.48
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 C25H23F2N3O2
MW 435.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
11101350 10.1021/jm990965x Prostaglandin G/H synthase 2 1
11101350 10.1021/jm990965x Prostaglandin G/H synthase 1 1
18023931 10.1016/j.ejmech.2007.09.028 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine