CHEMBL3040578
SMILES | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 |
InChIKey | YLEJYQFWEATDSD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 509.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 7.82 | 7.82 | 7.82 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.06 | 5.06 | 5.06 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.25 | 5.25 | 5.25 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.17 | 5.17 | 5.17 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |