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Compound Detail

CHEMBL187083

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[O-][N+]1(Cc2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187083
Phase Preclinical
Structure Type MOL
InChI Key KXQGWTNCXACIKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.9
MW (Da)
6.01
ALogP
2
HBA
1
HBD
43.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClF3NO2
MW 435.87
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.24

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