BAYu9773
SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O |
InChIKey | PKJINWOACFYDQN-RBVMPENBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 17 |
Molecular weight (Da) | 472.2 |
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 | 7.1 | 7.85 | 8.6 | Guide to Pharmacology |
NK3 | NK3R | Rat | Tachykinin | A | pKd | 7.9 | 8.5 | 9.1 | Guide to Pharmacology |
NK3 | NK3R | Mouse | Tachykinin | A | pKi | 7.6 | 7.8 | 8.0 | Guide to Pharmacology |
NK3 | NK3R | Human | Tachykinin | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK3 | NK3R | Rat | Tachykinin | A | pEC50 | 7.9 | 8.35 | 8.8 | Guide to Pharmacology |
NK3 | NK3R | Guinea pig | Tachykinin | A | pEC50 | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
NK3 | NK3R | Guinea pig | Tachykinin | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
NK3 | NK3R | Rat | Tachykinin | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
NK3 | NK3R | Rat | Tachykinin | A | pEC50 | 7.89 | 9.28 | 10.64 | ChEMBL |
NK1 | NK1R | Guinea pig | Tachykinin | A | pEC50 | 4.46 | 4.46 | 4.46 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pIC50 | 7.25 | 7.8 | 9.0 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pEC50 | 7.96 | 8.21 | 8.52 | ChEMBL |