SQ-27986
SMILES | OC(=O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)O2 |
InChIKey | CEHGUSRXHYTTPN-ZSMXBAJYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 362.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
VPAC1 | VIPR1 | Human | VIP and PACAP | B1 | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
VPAC2 | VIPR2 | Human | VIP and PACAP | B1 | pIC50 | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
VPAC1 | VIPR1 | Rat | VIP and PACAP | B1 | pIC50 | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
VPAC2 | VIPR2 | Rat | VIP and PACAP | B1 | pIC50 | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
VPAC1 | VIPR1 | Human | VIP and PACAP | B1 | pIC50 | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |