Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-indole

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PubChem ID

CID: 4908365

SID: 125299313

Canonical SMILES	CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show/Hide
Compound Formula	C14H16ClN3O

Compound Structure

Protein Name

Protein Info

Histamine H4 receptor

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Small molecule receptor (family A GPCR)

Monoamine receptor

Histamine receptor

Uniprot ID

Q9H3N8

Gene Name

HRH4

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 8 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	IC50 = 13 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	9
1	Ki = 3.311 nM	TI LI LO TS
2	Ki = 4.169 nM	TI LI LO TS
3	Ki = 4.898 nM	TI LI LO TS
4	Ki = 12.59 nM	TI LI LO TS
5	Ki = 15.85 nM	TI LI LO TS
6	Ki = 19.95 nM	TI LI LO TS
7	Ki = 31.62 nM	TI LI LO TS
8	Ki = 63.1 nM	TI LI LO TS
9	Ki = 398.11 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	8
1	Kd = 3.981 nM	TI LI LO TS
2	Ki = 4 nM	TI LI LO TS
3	Ki = 4.169 nM	TI LI LO TS
4	Ki = 6.31 nM	TI LI LO TS
5	Ki = 6.8 nM	TI LI LO TS
6	Ki = 8 nM	TI LI LO TS
7	Ki = 12.02 nM	TI LI LO TS
8	Ki = 15.85 nM	TI LI LO TS
CL000909	HEK293T-SF-His6-CRE-Luc Cell Line Info	Homo sapiens (Human)	1
1	Ki = 63.1 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	5
1	EC50 = 15.85 nM	TI LI LO TS
2	Ki = 14 nM	TI LI LO TS
3	Ki = 18.62 nM	TI LI LO TS
4	Ki = 63.1 nM	TI LI LO TS
5	Ki = 69 nM	TI LI LO TS
CL000074	SK-N-MC Cell Line Info	Homo sapiens (Human)	9
1	Kd = 7.943 nM	TI LI LO TS
2	Ki = 4 nM	TI LI LO TS
3	Ki = 5 nM	TI LI LO TS
4	Ki = 6.31 nM	TI LI LO TS
5	Ki = 13 nM	TI LI LO TS
6	Ki = 15.85 nM	TI LI LO TS
7	Ki = 17 nM	TI LI LO TS
8	Ki = 19.95 nM	TI LI LO TS
9	Ki = 63.1 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 12.59 nM
2	IC50 = 86 nM
3	Kd = 10 nM
4	Ki = 4 nM
5	Ki = 4.5 nM
6	Ki = 5 nM
7	Ki = 6 nM
8	Ki = 35.48 nM
9	Ki = 50.12 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han