cyclo[Arg-Cys(1)-Glu-His-D-Phe-N(Me)Arg-Trp-Pro-Ile-Cys(1)-His-D-Phe-N(Me)Arg-N(Me)Trp]

InChIKey	`VDHCRROJIVFVLM-BCHBBXIYSA-N`
Compound Name	cyclo[Arg-Cys(1)-Glu-His-D-Phe-N(Me)Arg-Trp-Pro-Ile-Cys(1)-His-D-Phe-N(Me)Arg-N(Me)Trp]
Canonical SMILES	`CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	7.61
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q01726	MC1R	Homo sapiens	Human	PF00001	9.8	Ki	ChEMBL;BindingDB
P32245	MC4R	Homo sapiens	Human	PF00001	7.2	Ki	ChEMBL;BindingDB
P41968	MC3R	Homo sapiens	Human	PF00001	7.0	Ki	ChEMBL;BindingDB
P33032	MC5R	Homo sapiens	Human	PF00001	6.4	IC50	ChEMBL;BindingDB