Compound Detail

CHEMBL5082678

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5082678
Phase	Preclinical
Structure Type	MOL
InChI Key	CPYRNXJVNKJULS-FWGIIJIJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2272.6

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C104H158N32O26
MW	2272.61

Activity Summary

Ki 1 meas. best 8.68

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prolactin-releasing peptide CHEMBL4523266	Ki	8.68	8.68	2.1	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prolactin-releasing peptide	Ki	=	2.1	nM	8.68	Displacement of [3H]-PrRP-20 from human PrRP receptor expressed in CHO cells by ...	34008968

Literature References

PubMed	DOI	Target Context	# Activities
34008968	10.1021/acs.jmedchem.1c00256	Unchecked	2
34008968	10.1021/acs.jmedchem.1c00256	Prolactin-releasing peptide	1
34008968	10.1021/acs.jmedchem.1c00256	KiSS-1 receptor	1
34008968	10.1021/acs.jmedchem.1c00256	Pyroglutamylated RF-amide peptide receptor	1
34008968	10.1021/acs.jmedchem.1c00256	Delta-type opioid receptor	1
34008968	10.1021/acs.jmedchem.1c00256	Nociceptin receptor	1

Data from ChEMBL 36 via Core Engine