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Compound Detail

CHEMBL337128

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Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc([N+](=O)[O-])cc3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337128
Phase Preclinical
Structure Type MOL
InChI Key BDDMAWARYNEZHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
4.86
ALogP
6
HBA
2
HBD
120.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N4O4
MW 428.45
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.55

Activity Summary

Ki 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nociceptin receptor
CHEMBL2014
 Ki 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nociceptin receptor Ki = 2.3 nM 8.64 Ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like ... 11101358

Literature References

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

Data from ChEMBL 36 via Core Engine