Cl-IB-MECA
Cl-IB-MECA
| SMILES | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O |
| InChIKey | IPSYPUKKXMNCNQ-PFHKOEEOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 544.0 |
Database connections
| Structure pdb | 8X17 |
No bioactivity data available.
Cl-IB-MECA
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
Phase II
Phase III
Phase IV
Database connections
| Structure pdb | 8X17 |