ArrestinDb

CHEMBL3684869

Agent/drug
Bioactivity

CHEMBL3684869

SMILES	CC[C@@H](C[C@H]1COC(N)=N1)c1ccccc1
InChIKey	IXDKFUBXESWHSL-JQWIXIFHSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	218.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8UHB 8W8A

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

TA₁	TAAR1	Mouse	Trace amine	A	pKi	8.46	8.46	8.46	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

TA₁	TAAR1	Human	Trace amine	A	pEC50	7.75	7.75	7.75	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3684869

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
Structure pdb	8UHB 8W8A

Compound is not listed as a drug.