PD157672
| SMILES | NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C |
| InChIKey | BYVRLIUFCGUMSP-XYFQYJLHSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 581.4 |
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 |
| NK3 | NK3R | Human | Tachykinin | A | pKi | 7.8 | 7.9 | 8.0 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK3 | NK3R | Human | Tachykinin | A | pIC50 | 7.8 | 7.85 | 7.9 | Guide to Pharmacology |
| NK3 | NK3R | Guinea pig | Tachykinin | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
| NK2 | NK2R | Golden hamster | Tachykinin | A | pIC50 | 5.18 | 5.18 | 5.18 | ChEMBL |
| NK3 | NK3R | Rat | Tachykinin | A | pIC50 | 5.76 | 5.76 | 5.76 | ChEMBL |
| NK3 | NK3R | Human | Tachykinin | A | pIC50 | 7.4 | 7.7 | 7.8 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |