L-054,522 [4498]
L-054,522
| SMILES | C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C |
| InChIKey | WFCIXKAZBUIFTR-PKIMSIDOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 11 |
| Log P | 4.285 |
| Molecular weight (Da) | 645.4 |
| Stereochemistry info | partial |
Database connections
| Structure pdb | 7XN9 |
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 |
L-054,522
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Structure pdb | 7XN9 |