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Compound Detail

CHEMBL343716

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O=C(O)Cn1c(-c2ccccc2)c2c(c1-c1ccccc1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL343716
Phase Preclinical
Structure Type MOL
InChI Key PDASQEFCOAXALW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.79
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO2
MW 331.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.33

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