PD-135158
| SMILES | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](CC1CNc2c1cccc2)(NC(=O)OC1C[C@H]2C([C@]1(C)CC2)(C)C)C)CCC(=O)O |
| InChIKey | VVGZQXYPBDZOLL-KROHXGCPSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 618.3 |
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 |
| GABAB1 | GABR1 | Human | GABAB | C | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GABAB1 | GABR1 | Rat | GABAB | C | pIC50 | 8.7 | 8.75 | 8.8 | Guide to Pharmacology |
| GABAB1 | GABR1 | Human | GABAB | C | pIC50 | 8.19 | 8.19 | 8.19 | ChEMBL |