AVP
SMILES | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N |
InChIKey | KBZOIRJILGZLEJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 14 |
Rotatable bonds | 19 |
Molecular weight (Da) | 1083.4 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 9.08 | 9.08 | 9.08 | PDSP Ki database |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 9.23 | 9.23 | 9.23 | PDSP Ki database |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.68 | 8.89 | 9.11 | PDSP Ki database |
V1B | V1BR | Rat | Vasopressin and oxytocin | A | pKi | 9.64 | 9.64 | 9.64 | PDSP Ki database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 8.84 | 9.0 | 9.21 | PDSP Ki database |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.49 | 8.95 | 9.34 | PDSP Ki database |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.47 | 8.47 | 8.47 | PDSP Ki database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
V1B | V1BR | Rat | Vasopressin and oxytocin | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
V2 | V2R | Bovine | Vasopressin and oxytocin | A | pKd | 8.05 | 8.05 | 8.05 | Drug Central |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKd | 8.04 | 8.04 | 8.04 | Drug Central |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Pig | Vasopressin and oxytocin | A | pIC50 | 8.07 | 8.07 | 8.07 | Drug Central |