CHEMBL1098781
SMILES | CC(=O)N1C[C@@H](Oc2ccsc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1 |
InChIKey | MKLZYGYFUFWHJE-RBUKOAKNSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 391.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H3 | HRH3 | Human | Histamine | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKd | 9.28 | 9.28 | 9.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |