(S)-TBPG
SMILES | OC(=O)[C@H](C12CC(C1)(C2)c1n[nH]nn1)N |
InChIKey | XYCORZCGVTXZFU-XOJFDHPMSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 3 |
Molecular weight (Da) | 209.1 |
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 |
NK2 | NK2R | Golden hamster | Tachykinin | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
NK2 | NK2R | Rat | Tachykinin | A | pKi | 6.03 | 7.67 | 9.3 | ChEMBL |
NK2 | NK2R | Human | Tachykinin | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pKi | 6.1 | 6.35 | 6.6 | Guide to Pharmacology |
NK2 | NK2R | Human | Tachykinin | A | pKi | 9.4 | 9.55 | 9.7 | Guide to Pharmacology |
NK3 | NK3R | Human | Tachykinin | A | pKi | 5.7 | 5.95 | 6.2 | Guide to Pharmacology |
NK2 | NK2R | Rat | Tachykinin | A | pKd | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
NK2 | NK2R | Rat | Tachykinin | A | pKi | 9.2 | 9.3 | 9.4 | Guide to Pharmacology |
NK2 | NK2R | Bovine | Tachykinin | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
NK1 | NK1R | Rat | Tachykinin | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK3 | NK3R | Guinea pig | Tachykinin | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |
NK2 | NK2R | Human | Tachykinin | A | pIC50 | 9.1 | 9.45 | 9.89 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 6.1 | 6.17 | 6.23 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pIC50 | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
NK2 | NK2R | Guinea pig | Tachykinin | A | pIC50 | 10.25 | 10.25 | 10.25 | Guide to Pharmacology |