dexniguldipine
SMILES | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C |
InChIKey | SVJMLYUFVDMUHP-MGBGTMOVSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 609.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 7.6 | 7.9 | 8.2 | Guide to Pharmacology |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |