SSR126768A
SMILES | CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1 |
InChIKey | UENRBNCNIZQNTR-XIFFEERXSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 603.2 |
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 | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 9.12 | 9.12 | 9.12 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 5.01 | 5.01 | 5.01 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 7.82 | 7.83 | 7.85 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 4.55 | 4.55 | 4.55 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.31 | 8.35 | 8.39 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |