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Compound Detail

CHEMBL2380880

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CC(=O)/C(=C(\N)c1ccc(Cl)o1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2380880
Phase Preclinical
Structure Type MOL
InChI Key JJIDZKMUUFCXBZ-BUHFOSPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.7
MW (Da)
3.35
ALogP
3
HBA
1
HBD
56.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClNO2
MW 261.71
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
23651359 10.1021/jm301905a Prostaglandin G/H synthase 2 1
23651359 10.1021/jm301905a Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine