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Compound Detail

CHEMBL3331327

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Cc1nn(-c2ccc(Cl)cc2Cl)c2c1c(=O)oc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3331327
Phase Preclinical
Structure Type MOL
InChI Key XKHJFVNZEYEZPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
4.75
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10Cl2N2O2
MW 345.18
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
25219899 10.1016/j.bmcl.2014.08.050 Prostaglandin G/H synthase 2 2
25219899 10.1016/j.bmcl.2014.08.050 Prostaglandin G/H synthase 1 2
25219899 10.1016/j.bmcl.2014.08.050 Unchecked 1

Data from ChEMBL 36 via Core Engine