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Compound Detail

CHEMBL538792

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

Basic Information

ChEMBL ID CHEMBL538792
Phase Preclinical
Structure Type MOL
InChI Key CBVOZPXUYQNYPS-UHFFFAOYSA-N
Parent Compound CHEMBL496775
Active Moiety CHEMBL496775
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
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 C23H25Cl2F2N3
MW 452.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.30

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

Data from ChEMBL 36 via Core Engine