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Compound Detail

CHEMBL140206

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c1ccc(CN2Cc3c(-c4ccccc4)[nH]c(-c4ccccc4)c3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140206
Phase Preclinical
Structure Type MOL
InChI Key XPZIIJVAVYDHEE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
5.86
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.49
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 C25H22N2
MW 350.47
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.46

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