GproteinDb

CHEMBL5222491

Agent/drug
Bioactivity

CHEMBL5222491

SMILES	C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1
InChIKey	MODBIBJHAWXYOZ-LLVKDONJSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	4
Rotatable bonds	6
Molecular weight (Da)	315.2

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	5.66	5.66	5.66	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKd	9.64	9.64	9.64	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKd	10.83	10.83	10.83	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	5.10	5.10	5.10	ChEMBL
H₁	HRH1	Human	Histamine	A	pKd	8.35	8.35	8.35	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	7.27	7.27	7.27	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
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKd	9.77	9.77	9.77	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKd	10.00	10.00	10.00	ChEMBL

Showing 1 to 20 of 23 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pEC50	5.72	5.72	5.72	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pEC50	6.07	6.07	6.07	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pEC50	4.31	4.31	4.31	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pEC50	4.45	4.45	4.45	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	4.76	4.76	4.76	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	4.29	4.29	4.29	ChEMBL
D₄	DRD4	Human	Dopamine	A	pEC50	5.18	5.18	5.18	ChEMBL
D₅	DRD5	Human	Dopamine	A	pEC50	4.62	4.62	4.62	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	6.49	7.04	7.59	ChEMBL

Showing 1 to 9 of 9 entries

CHEMBL5222491

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.