CHEMBL350998
SMILES | COc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1OC |
InChIKey | GCUDDJNJGDEKFU-JOCHJYFZSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 13 |
Molecular weight (Da) | 623.3 |
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 | Rat | Histamine | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |