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Compound Detail

CHEMBL1941125

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CC(C)(Oc1cccc(CCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1941125
Phase Preclinical
Structure Type MOL
InChI Key JWOPHOSLXMHSGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
5.90
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31NO4
MW 481.59
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
22178554 10.1016/j.bmcl.2011.11.079 Prostaglandin D2 receptor 2 1
22178554 10.1016/j.bmcl.2011.11.079 Chemoattractant receptor-homologous molecule expressed on Th2 cells 1

Data from ChEMBL 36 via Core Engine