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Compound Detail

CHEMBL395930

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OCCOc1ccc(Cl)cc1C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395930
Phase Preclinical
Structure Type MOL
InChI Key DOLDETHAGSUYKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.8
MW (Da)
3.76
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19ClO2
MW 254.76
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
17531480 10.1016/j.bmcl.2007.05.019 Prostaglandin D2 receptor 2 1
17531480 10.1016/j.bmcl.2007.05.019 Prostaglandin D2 receptor 1

Data from ChEMBL 36 via Core Engine