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Compound Detail

CHEMBL2181752

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O=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CNS(=O)(=O)c2ccc(F)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181752
Phase Preclinical
Structure Type MOL
InChI Key COJBRJBTCYULNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

603.5
MW (Da)
6.28
ALogP
5
HBA
3
HBD
121.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21Cl2FN2O6S
MW 603.46
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
22224640 10.1021/jm2013997 Prostaglandin D2 receptor 2 1

Data from ChEMBL 36 via Core Engine