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Compound Detail

CHEMBL185706

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[O-][N+]1(CCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185706
Phase Preclinical
Structure Type MOL
InChI Key MDSVMKMYXTVWGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.0
MW (Da)
6.88
ALogP
2
HBA
1
HBD
43.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27ClF3NO2
MW 489.96
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
15454210 10.1016/j.bmcl.2004.08.032 Nociceptin receptor 3
15454210 10.1016/j.bmcl.2004.08.032 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine