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Compound Detail

CHEMBL343424

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Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1

Basic Information

ChEMBL ID CHEMBL343424
Phase Preclinical
Structure Type MOL
InChI Key IHEWDSLCCFRZFU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
5.47
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O
MW 395.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.14

Activity Summary

Ki 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nociceptin receptor
CHEMBL2014
Ki 7.05 7.05 88.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11101358 10.1021/jm0002073 Nociceptin receptor 1

Data from ChEMBL 36 via Core Engine