parthenolide
SMILES | C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C |
InChIKey | KTEXNACQROZXEV-PVLRGYAZSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 0 |
Molecular weight (Da) | 248.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST1 | SSR1 | Human | Somatostatin | A | pIC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 8.62 | 8.62 | 8.62 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 7.89 | 7.89 | 7.89 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |