d(CH2)5Tyr(Me)AVP
SMILES | COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5 |
InChIKey | QVQOGNOOAMQKCE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 12 |
Rotatable bonds | 20 |
Molecular weight (Da) | 1150.5 |
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 |
V1B | V1BR | Rat | Vasopressin and oxytocin | A | pKi | 7.42 | 7.42 | 7.42 | PDSP Ki database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 8.75 | 9.12 | 9.48 | PDSP Ki database |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 7.0 | 7.2 | 7.4 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |