Compound Detail

CHEMBL437723

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CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL437723
Phase	Preclinical
Structure Type	BOTH
InChI Key	WBBBVZGQADABSU-RERZDIOCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

939.1

MW (Da)

-2.42

ALogP

HBA

HBD

413.0

PSA (Å²)

0.02

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.12

EC50 1 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nociceptin receptor CHEMBL2014	IC50	9.12	9.0667	0.8	3
Nociceptin receptor CHEMBL2014	EC50	7.89	7.89	12.9	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nociceptin receptor	IC50	=	0.767	nM	9.12	Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells	16814543
Nociceptin receptor	IC50	=	0.79	nM	9.1	Displacement of [3H]nociceptin from human ORL1-Galpha fusion receptor in COS7 ce...	18068993
Nociceptin receptor	IC50	=	1.04	nM	8.98	Displacement of [3H]]nociceptin from human ORL1 receptor expressed in African gr...	25284251
Nociceptin receptor	EC50	=	12.9	nM	7.89	Activity at human ORL1-Galpha fusion receptor in COS7 cells assessed as stimulat...	18068993

PubMed	DOI	Target Context	# Activities
18068993	10.1016/j.bmc.2007.11.043	Nociceptin receptor	4
22061823	10.1016/j.bmc.2011.10.024	Unchecked	2
25284251	10.1016/j.bmc.2014.09.018	Nociceptin receptor	2
16814543	10.1016/j.bmcl.2006.06.060	Mu-type opioid receptor	1
16814543	10.1016/j.bmcl.2006.06.060	Nociceptin receptor	1

Data from ChEMBL 36 via Core Engine