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Compound Detail

CHEMBL506803

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FCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL506803
Phase Preclinical
Structure Type MOL
InChI Key AEHBDXWWYVXDOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
7.62
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.38
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 C27H26Cl2FN
MW 454.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.36

Activity Summary

Ki 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nociceptin receptor
CHEMBL2014
Ki 5.5 5.5 3151.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19339177 10.1016/j.bmcl.2009.03.031 Nociceptin receptor 2
19339177 10.1016/j.bmcl.2009.03.031 Mu-type opioid receptor 2

Data from ChEMBL 36 via Core Engine