balixafortide [1180]
balixafortide
| SMILES | C[C@@H]1NN[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C(=O)[C@H](Cc1ccc(O)cc1)NC2=O |
| InChIKey | OYWQJZAVFWOOBF-WBMPNIIXSA-N |
| Sequence | None |
Chemical Properties
| Hydrogen bond acceptors | 29 |
| Hydrogen bond donors | 24 |
| Rotatable bonds | 22 |
| Log P | -6.480 |
| Molecular weight (Da) | 1862.8 |
| Stereochemistry info | unspecified |
Database connections
No bioactivity data available.
balixafortide
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0