EM-TBPC
SMILES | CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2 |
InChIKey | QNUVWRAGDSGAKX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 308.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | mGlu1 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
PAF | PTAFR | Human | Platelet-activating factor | A | pKi | 5.43 | 5.43 | 5.43 | Guide to Pharmacology |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
PAF | PTAFR | Human | Platelet-activating factor | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 8.41 | 8.41 | 8.41 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pIC50 | 8.41 | 8.41 | 8.41 | Guide to Pharmacology |
PAF | PTAFR | Human | Platelet-activating factor | A | pIC50 | 8.27 | 8.27 | 8.27 | Drug Central |