JTE-013
| SMILES | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C |
| InChIKey | RNSLRQNDXRSASX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 407.1 |
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 |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pKd | 5.71 | 5.71 | 5.71 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P2 | S1PR2 | Rat | Lysophospholipid (S1P) | A | pIC50 | 7.66 | 7.71 | 7.77 | Guide to Pharmacology |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.16 | 7.57 | 8.0 | ChEMBL |
| GPR119 | GP119 | Human | GPR18, GPR55 and GPR119 | A | pEC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| FFA4 | FFAR4 | Human | Free fatty acid | A | pEC50 | 6.23 | 6.23 | 6.23 | ChEMBL |
| GLP-1 | GLP1R | Human | Glucagon | B1 | pEC50 | 6.31 | 6.31 | 6.31 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.77 | 7.77 | 7.77 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
| S1P2 | S1PR2 | Rat | Lysophospholipid (S1P) | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |