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Compound Detail

CHEMBL3357119

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O=C1OCC(c2ccc(Cl)cc2)=C1c1ccnc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357119
Phase Preclinical
Structure Type MOL
InChI Key MRJBPYNYPAKHLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.1
MW (Da)
3.86
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9Cl2NO2
MW 306.15
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
25408841 10.1021/ml500344j Prostaglandin G/H synthase 1 1
25408841 10.1021/ml500344j Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine