GPCRdb

CHEMBL1078642

Agent/drug
Bioactivity

CHEMBL1078642

SMILES	N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1
InChIKey	DHHDEHNHEBYRPQ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	3
Rotatable bonds	9
Molecular weight (Da)	342.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Ligand site mutations	H₄

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

H₁	HRH1	Human	Histamine	A	pKi	4.59	4.59	4.59	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	5.39	5.39	5.39	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	6.28	6.28	6.28	ChEMBL
H₄	HRH4	Human	Histamine	A	pKi	7.24	7.24	7.24	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

H₃	HRH3	Human	Histamine	A	pEC50	6.14	6.14	6.14	ChEMBL
H₄	HRH4	Human	Histamine	A	pEC50	7.43	7.44	7.47	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL1078642

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Ligand site mutations	H₄

Compound is not listed as a drug.