lodoxamide
SMILES | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl |
InChIKey | RVGLGHVJXCETIO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 2 |
Molecular weight (Da) | 311.0 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 8H8J |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK2 | NK2R | Human | Tachykinin | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.15 | 5.15 | 5.15 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.28 | 5.28 | 5.28 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
δ | OPRD | Human | Opioid | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
κ | OPRK | Human | Opioid | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
μ | OPRM | Human | Opioid | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
NK2 | NK2R | Human | Tachykinin | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 4.76 | 4.76 | 4.76 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 4.81 | 4.81 | 4.81 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 4.55 | 4.55 | 4.55 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.16 | 5.16 | 5.16 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.02 | 5.02 | 5.02 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.27 | 8.27 | 8.27 | Drug Central |