purmorphamine
SMILES | C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 |
InChIKey | FYBHCRQFSFYWPY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 520.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SMO | SMO | Human | Frizzled | F | pEC50 | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
SMO | SMO | Human | Frizzled | F | pIC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
SMO | SMO | Human | Frizzled | F | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
SMO | SMO | Mouse | Frizzled | F | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |