I-ABA
I-ABA
| SMILES | Nc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I |
| InChIKey | REGZQZHKIFOMRK-LSCFUAHRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 498.1 |
Database connections
| Ligand site mutations | A1 |
No bioactivity data available.
I-ABA
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
Phase II
Phase III
Phase IV
Database connections
| Ligand site mutations | A1 |