WIN 64338
SMILES | CCCC[P+](Cc1ccc(cc1)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=NC1CCCCC1)NC1CCCCC1)(CCCC)CCCC.[Cl-] |
InChIKey | MJWYKJXHACNJCD-SXWPEPABSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 3 |
Rotatable bonds | 18 |
Molecular weight (Da) | 746.5 |
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 |
B2 | BKRB2 | Human | Bradykinin | A | pKi | 6.2 | 6.7 | 7.2 | Guide to Pharmacology |
B2 | BKRB2 | Human | Bradykinin | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pKd | 6.17 | 6.17 | 6.17 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |