Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide

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PubChem ID

CID: 9938402

SID: 14911585

Canonical SMILES	Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show/Hide
Compound Formula	C33H41ClN6O2

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
CL000023	BTI-Tn-5B1-4 Cell Line Info	Trichoplusia ni (Cabbage looper)	1
1	IC50 = 9 nM	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	EC50 = 5.7 nM	TI LI LO TS
2	IC50 = 1.2 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	30
1	EC50 = 0.61 nM	TI LI LO TS
2	EC50 = 0.71 nM	TI LI LO TS
3	EC50 = 0.82 nM	TI LI LO TS
4	EC50 = 1 nM	TI LI LO TS
5	EC50 = 1.2 nM	TI LI LO TS
6	EC50 = 1.45 nM	TI LI LO TS
7	EC50 = 1.5 nM	TI LI LO TS
8	EC50 = 3.6 nM	TI LI LO TS
9	EC50 = 4 nM	TI LI LO TS
10	EC50 = 8.5 nM	TI LI LO TS
11	EC50 = 12 nM	TI LI LO TS
12	EC50 = 26 nM	TI LI LO TS
13	EC50 = 41 nM	TI LI LO TS
14	EC50 = 49 nM	TI LI LO TS
15	EC50 > 1000 nM	TI LI LO TS
16	IC50 = 1.2 nM	TI LI LO TS
17	Ki = 3 nM	TI LI LO TS
18	Ki = 3.2 nM	TI LI LO TS
19	Ki = 4.6 nM	TI LI LO TS
20	Ki = 5 nM	TI LI LO TS
21	Ki = 6.7 nM	TI LI LO TS
22	Ki = 8.5 nM	TI LI LO TS
23	Ki = 9.8 nM	TI LI LO TS
24	Ki = 20 nM	TI LI LO TS
25	Ki = 33 nM	TI LI LO TS
26	Ki = 38 nM	TI LI LO TS
27	Ki = 50 nM	TI LI LO TS
28	Ki = 81 nM	TI LI LO TS
29	Ki = 129 nM	TI LI LO TS
30	Ki = 646 nM	TI LI LO TS

Biochemical Assays

1	Ki = 9 nM
2	Ki = 80 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han