labradimil [4619]
labradimil
| SMILES | COc1ccc(C[C@@H](CN[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCN=C(N)N)cc1 |
| InChIKey | IDXCXSCCZNCXCL-XMADEQCMSA-N |
| Sequence | RPXGXSPYR |
Chemical Properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 29 |
| Log P | -4.474 |
| Molecular weight (Da) | 1097.5 |
| Stereochemistry info | partial |
Database connections
| Model (AF2) | B2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
labradimil
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Model (AF2) | B2 |