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Compound Detail

CHEMBL321685

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N#Cc1ccc(CN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321685
Phase Preclinical
Structure Type MOL
InChI Key PJQRBOIVQOGIBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

394.8
MW (Da)
4.71
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClF3N2O
MW 394.82
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
15454210 10.1016/j.bmcl.2004.08.032 Nociceptin receptor 3
12951102 10.1016/s0960-894x(03)00665-6 Nociceptin receptor 2
15454210 10.1016/j.bmcl.2004.08.032 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine