Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

CAS_75921-69-6

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PubChem ID

CID: 91898441

SID: 16544557

Canonical SMILES	CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show/Hide
Compound Formula	C78H111N21O19

Compound Structure

Protein Name

Protein Info

Melanocortin receptor 4

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Peptide receptor (family A GPCR)

Short peptide receptor (family A GPCR)

Melanocortin receptor

Uniprot ID

P32245

Gene Name

MC4R

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000404	BHK570 Cell Line Info	Mesocricetus auratus (Golden hamster)	1
1	EC50 = 0.14 nM	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	IC50 = 0.15 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	26
1	EC50 = 0.13 nM	TI LI LO TS
2	EC50 = 0.2 nM	TI LI LO TS
3	EC50 = 0.4 nM	TI LI LO TS
4	EC50 = 0.51 nM	TI LI LO TS
5	EC50 = 1 nM	TI LI LO TS
6	EC50 = 1.1 nM	TI LI LO TS
7	EC50 = 1.2 nM	TI LI LO TS
8	EC50 = 1.4 nM	TI LI LO TS
9	EC50 = 1.5 nM	TI LI LO TS
10	EC50 = 2 nM	TI LI LO TS
11	EC50 = 5.1 nM	TI LI LO TS
12	EC50 = 6.4 nM	TI LI LO TS
13	EC50 = 9 nM	TI LI LO TS
14	IC50 = 0.4 nM	TI LI LO TS
15	IC50 = 9 nM	TI LI LO TS
16	IC50 = 10 nM	TI LI LO TS
17	IC50 = 14 nM	TI LI LO TS
18	Ki = 0.56 nM	TI LI LO TS
19	Ki = 0.57 nM	TI LI LO TS
20	Ki = 0.63 nM	TI LI LO TS
21	Ki = 0.82 nM	TI LI LO TS
22	Ki = 0.97 nM	TI LI LO TS
23	Ki = 1.2 nM	TI LI LO TS
24	Ki = 1.3 nM	TI LI LO TS
25	Ki = 9 nM	TI LI LO TS
26	Ki = 19 nM	TI LI LO TS
CL000309	NCTC clone 929 Cell Line Info	Mus musculus (Mouse)	2
1	EC50 = 0.72 nM	TI LI LO TS
2	IC50 = 3.3 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 0.017 nM
2	IC50 = 0.2 nM
3	IC50 = 0.4 nM
4	IC50 = 0.48 nM
5	IC50 = 0.52 nM
6	IC50 = 1.16 nM
7	IC50 = 3.6 nM
8	Ki = 0.3 nM
9	Ki = 0.44 nM
10	Ki = 0.47 nM
11	Ki = 0.95 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han