GproteinDb

CHEMBL103769

Agent/drug
Bioactivity

CHEMBL103769

SMILES	S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
InChIKey	UREJDUPKGMFJRU-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	3
Rotatable bonds	11
Molecular weight (Da)	554.0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	6.29	6.29	6.29	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.69	5.69	5.69	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	5.77	5.77	5.77	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.75	6.75	6.75	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.29	6.29	6.29	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.27	6.27	6.27	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	5.95	5.95	5.95	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.98	5.98	5.98	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.69	6.69	6.69	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.60	6.60	6.60	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	5.81	5.81	5.81	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	5.88	5.88	5.88	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	5.81	5.81	5.81	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.76	5.76	5.76	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.19	6.19	6.19	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	5.70	5.70	5.70	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	6.19	6.19	6.19	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	6.98	6.98	6.98	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	5.59	5.59	5.59	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pKi	6.31	6.31	6.31	ChEMBL

Showing 1 to 20 of 22 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	5.55	5.55	5.55	ChEMBL
apelin	APJ	Human	Apelin	A	pIC50	5.39	5.39	5.39	ChEMBL
AT₁	AGTR1	Human	Angiotensin	A	pIC50	5.32	5.32	5.32	ChEMBL
FPR1	FPR1	Human	Formylpeptide	A	pIC50	5.45	5.46	5.47	ChEMBL
GPR119	GP119	Human	GPR18, GPR55 and GPR119	A	pIC50	5.48	5.48	5.48	ChEMBL
GPR183	GP183	Human	A orphans	A	pIC50	5.48	5.48	5.48	ChEMBL
GPR35	GPR35	Human	A orphans	A	pIC50	5.22	5.22	5.22	ChEMBL
GPR65	PSYR	Human	A orphans	A	pIC50	5.58	5.60	5.62	ChEMBL
SST4	SSR4	Human	Somatostatin	A	pEC50	7.55	7.55	7.55	ChEMBL

Showing 1 to 9 of 9 entries

CHEMBL103769

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.