ArrestinDb

LIT-001

Agent/drug
Bioactivity

LIT-001

SMILES	Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N(C)C
InChIKey	AOPORIRPXVMWSL-DEOSSOPVSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	531.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	6.65	6.65	6.65	Guide to Pharmacology
OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	6.65	6.65	6.65	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	5.90	5.90	5.90	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	5.90	5.90	5.90	Guide to Pharmacology
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	5.78	5.78	5.78	Guide to Pharmacology
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	5.78	5.78	5.78	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Mouse	Vasopressin and oxytocin	A	pEC50	7.75	7.75	7.75	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pEC50	7.21	7.36	7.60	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	5.23	5.96	7.00	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pEC50	6.18	6.79	7.39	ChEMBL

Showing 1 to 4 of 4 entries

LIT-001

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

PubChem Guide To Pharmacology ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.