GPCRdb

CHEMBL360648

Agent/drug
Bioactivity

CHEMBL360648

SMILES	Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1
InChIKey	KSNHHKZYKYNBEI-NDEPHWFRSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	600.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pKi	5.69	5.69	5.69	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.04	6.04	6.04	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	5.46	5.46	5.46	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	6.15	6.15	6.15	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	6.60	6.60	6.60	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pKi	6.33	6.33	6.33	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	6.83	6.84	6.85	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	6.48	6.60	6.71	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Human	Vasopressin and oxytocin	A	pEC50	7.48	7.50	7.55	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	8.10	8.10	8.10	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pEC50	6.07	6.07	6.07	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL360648

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.