GPCRdb

CHEMBL5274312

Agent/drug
Bioactivity

CHEMBL5274312

SMILES	CC[Si](C#Cc1cccc2c1OC(C(F)(F)F)C([N+](=O)[O-])=C2)(CC)CC
InChIKey	IHIRLDQLFPQTJC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	0
Rotatable bonds	4
Molecular weight (Da)	383.1

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_2B	ADA2B	Human	Adrenoceptors	A	pKi	5.72	5.72	5.72	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	5.96	5.96	5.96	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pKi	5.14	5.14	5.14	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.38	5.38	5.38	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.46	5.46	5.46	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

P2Y₆	P2RY6	Mouse	P2Y	A	pIC50	5.21	5.21	5.21	ChEMBL
P2Y₆	P2RY6	Human	P2Y	A	pIC50	6.34	6.34	6.34	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL5274312

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.