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Compound Detail

CHEMBL240897

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O=C1NCN(c2ccccc2)C12CCN(Cc1ccncc1)CC2

Basic Information

ChEMBL ID CHEMBL240897
Phase Preclinical
Structure Type MOL
InChI Key GONMHEHEZZKZKL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.01
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.94
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 C19H22N4O
MW 322.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.77

Activity Summary

Ki 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nociceptin receptor
CHEMBL2014
Ki 6.08 6.08 824.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17289383 10.1016/j.bmcl.2007.01.069 Nociceptin receptor 1
17289383 10.1016/j.bmcl.2007.01.069 Delta-type opioid receptor 1
17289383 10.1016/j.bmcl.2007.01.069 Kappa-type opioid receptor 1
17289383 10.1016/j.bmcl.2007.01.069 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine