CHEMBL5512435 [390036]
CHEMBL5512435
| SMILES | O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(CNC2(C(=O)O[C@H]3CN4CCC3CC4)CCc3ccccc32)cc1 |
| InChIKey | OQDFIXOAMVDMRY-APMKENDMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 14 |
| Log P | 3.636 |
| Molecular weight (Da) | 693.4 |
| Stereochemistry info | partial |
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 |
CHEMBL5512435
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