TD-8954
SMILES | COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C |
InChIKey | MZOITCJKGUIQEI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 455.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pEC50 | 5.86 | 5.86 | 5.86 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pEC50 | 7.54 | 7.54 | 7.54 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pEC50 | 5.56 | 5.56 | 5.56 | ChEMBL |