SR146131
SMILES | COc1cc(Cl)c(cc1c1nc(sc1CCC1CCCCC1)NC(=O)c1cc2c(n1CC(=O)O)c(C)cc(c2)C)OC |
InChIKey | NFDFTMICKVDYLQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 609.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7XOV |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
H1 | HRH1 | Human | Histamine | A | pKi | 7.1 | 7.53 | 8.23 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 7.68 | 8.5 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.9 | 7.9 | 7.9 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |