CHEMBL5949911 [444394]
CHEMBL5949911
| SMILES | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](c2ccsc2[C@@](O)(C(=O)O)C2CCCC2)CC1 |
| InChIKey | DKTWKXDPNDGOBL-MOYNPJPQSA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 14 |
| Log P | 5.374 |
| Molecular weight (Da) | 728.3 |
| 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 |
CHEMBL5949911
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