terutroban
SMILES | OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl |
InChIKey | HWEOXFSBSQIWSY-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 407.1 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 4.74 | 6.56 | 8.38 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.9 | 8.2 | 8.9 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.2 | 6.4 | 6.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |