CHEMBL603051 [451869]
CHEMBL603051
| SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCCCNC(=O)c5ccc(-c6c7ccc(=N)c(S(=O)(=O)O)c-7oc7c(S(=O)(=O)O)c(N)ccc67)c(C(=O)O)c5)nn4)nc31)[C@H](O)[C@@H]2O |
| InChIKey | DUFFYMXQMNSLLQ-CFDBQPFWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 20 |
| Hydrogen bond donors | 10 |
| Rotatable bonds | 21 |
| Log P | 5.238 |
| Molecular weight (Da) | 1190.3 |
| Stereochemistry info | full |
Database connections
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 |
CHEMBL603051
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