CGP 64213
SMILES | O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O |
InChIKey | RLYLJDJFHZHCTR-GCJKJVERSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 6 |
Rotatable bonds | 16 |
Molecular weight (Da) | 646.1 |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.93 | 6.93 | 6.93 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.77 | 6.77 | 6.77 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 8.23 | 8.23 | 8.23 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 6.08 | 6.08 | 6.08 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.46 | 7.46 | 7.46 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.49 | 7.49 | 7.49 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.74 | 6.74 | 6.74 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.35 | 7.08 | 7.46 | ChEMBL |