Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL271779

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271779
Phase Preclinical
Structure Type MOL
InChI Key FVLUEICGTGFFBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.25
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.88
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 C22H33FN2O
MW 360.52
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.70

Activity Summary

Ki 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nociceptin receptor
CHEMBL2014
 Ki 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nociceptin receptor Ki = 100.0 nM 7.0 Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in HEK2... 18232652

Literature References

PubMed DOI Target Context # Activities
18232652 10.1021/jm7009606 Nociceptin receptor 1

Data from ChEMBL 36 via Core Engine