dihydroergocryptine
SMILES | CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C |
InChIKey | PBUNVLRHZGSROC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 577.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 8.57 | 8.57 | 8.57 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 7.74 | 7.74 | 7.74 | Guide to Pharmacology |
δ | OPRD | Human | Opioid | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 7.03 | 7.03 | 7.03 | ChEMBL |