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Compound Detail

CHEMBL5081578

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CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O

Basic Information

ChEMBL ID CHEMBL5081578
Phase Preclinical
Structure Type MOL
InChI Key YCMWUDPSKRFXOP-MJBCETAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

1466.7
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C65H107N23O16
MW 1466.72

Activity Summary

EC50 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nociceptin receptor
CHEMBL2014
EC50 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nociceptin receptor EC50 = 2.818 nM 8.55 Agonist activity at human NOP receptor expressed in CHO cells assessed as stimul... 33998786

Literature References

PubMed DOI Target Context # Activities
33998786 10.1021/acs.jmedchem.0c02062 Mu-type opioid receptor 2
33998786 10.1021/acs.jmedchem.0c02062 Nociceptin receptor 2
33998786 10.1021/acs.jmedchem.0c02062 Unchecked 1

Data from ChEMBL 36 via Core Engine