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

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 6.83 6.84 6.85 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.33 6.33 6.33 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.48 6.6 6.71 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.6 6.6 6.6 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.15 6.15 6.15 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.46 5.46 5.46 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.04 6.04 6.04 ChEMBL
κ OPRK Human Opioid A pKi 5.69 5.69 5.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pEC50 7.48 7.5 7.55 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 6.07 6.07 6.07 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 8.1 8.1 8.1 ChEMBL