ArrestinDb

CHEMBL5222872

Agent/drug
Bioactivity

CHEMBL5222872

SMILES	N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1
InChIKey	GWAMGWDJCYIREE-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	4
Rotatable bonds	6
Molecular weight (Da)	333.1

Database connections

ChEMBL_compound_ids 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	pKd	9.60	9.60	9.60	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKd	9.22	9.22	9.22	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pKd	10.12	10.12	10.12	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKd	10.15	10.15	10.15	ChEMBL
μ	OPRM	Human	Opioid	A	pKd	10.05	10.05	10.05	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKd	10.10	10.10	10.10	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.86	5.86	5.86	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKd	9.64	9.64	9.64	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.20	5.20	5.20	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKd	10.83	10.83	10.83	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.58	5.58	5.58	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKd	10.59	10.59	10.59	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKd	10.11	10.11	10.11	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKd	9.62	9.62	9.62	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.27	5.27	5.27	ChEMBL
H₁	HRH1	Human	Histamine	A	pKd	8.35	8.35	8.35	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	8.30	8.30	8.30	ChEMBL
H₂	HRH2	Human	Histamine	A	pKd	7.91	7.91	7.91	ChEMBL
H₃	HRH3	Human	Histamine	A	pKd	8.52	8.52	8.52	ChEMBL
H₄	HRH4	Human	Histamine	A	pKd	7.80	7.80	7.80	ChEMBL

Showing 1 to 20 of 25 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pEC50	6.07	6.07	6.07	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pEC50	5.90	5.90	5.90	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pEC50	4.40	4.40	4.40	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	5.40	5.40	5.40	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	4.56	4.56	4.56	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	5.92	5.92	5.92	ChEMBL
D₄	DRD4	Human	Dopamine	A	pEC50	6.17	6.17	6.17	ChEMBL
D₅	DRD5	Human	Dopamine	A	pEC50	4.95	4.95	4.95	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	6.86	7.67	8.48	ChEMBL

Showing 1 to 9 of 9 entries

CHEMBL5222872

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.