Senktide
SMILES | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O |
InChIKey | HMHYXLVEFVGOPM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 8 |
Rotatable bonds | 26 |
Molecular weight (Da) | 841.4 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK1 | NK1R | Human | Tachykinin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
NK2 | NK2R | Human | Tachykinin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
NK3 | NK3R | Human | Tachykinin | A | pKi | 7.77 | 8.16 | 8.55 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |