GPCRdb

CHEMBL1221512

Agent/drug
Bioactivity

CHEMBL1221512

SMILES	CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS
InChIKey	PGOKBMWPBDRDGN-IBXSQZDTSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	4
Rotatable bonds	18
Molecular weight (Da)	559.3

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	6.79	6.79	6.79	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.34	6.34	6.34	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.28	7.28	7.28	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.02	8.02	8.02	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	5.90	5.90	5.90	ChEMBL
MC₃	MC3R	Human	Melanocortin	A	pKi	5.53	5.53	5.53	ChEMBL
MC₅	MC5R	Human	Melanocortin	A	pKi	6.94	6.94	6.94	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pKi	6.27	6.27	6.27	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	6.37	6.37	6.37	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pIC50	5.50	5.50	5.50	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	6.80	6.80	6.80	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.55	7.55	7.55	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pIC50	5.45	5.45	5.45	ChEMBL
MC₃	MC3R	Human	Melanocortin	A	pIC50	5.47	5.47	5.47	ChEMBL
MC₅	MC5R	Human	Melanocortin	A	pIC50	6.91	6.91	6.91	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pIC50	5.79	5.79	5.79	ChEMBL

Showing 1 to 8 of 8 entries

CHEMBL1221512

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

Compound is not listed as a drug.