RTOXA-43
SMILES | O=S(C1=CC(C2=CC(C(N(C)CC3=CN=CC=C3)=O)=CC=C2)=CC=C1OC)(NC4=CC=CC(NCCNC(C5=CC(C)=CC=C5)=O)=C4)=O |
InChIKey | RCIRUDLVTXPQQZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 663.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
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 |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.63 | 6.63 | 6.63 | ChEMBL |