GPCRdb

ALLYPHENYLINE

Agent/drug
Bioactivity

ALLYPHENYLINE

SMILES	C=CCc1ccccc1OC(C)C1=NCCN1
InChIKey	MNMDMCKHXVHLAW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	230.1

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_2A	ADA2A	Human	Adrenoceptors	A	pKi	7.24	7.24	7.24	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.47	6.47	6.47	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.07	7.07	7.07	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.55	7.55	7.55	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2C	ADA2C	Human	Adrenoceptors	A	pEC50	7.30	7.30	7.30	ChEMBL

Showing 1 to 1 of 1 entry

ALLYPHENYLINE

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.