CHEMBL1189085 [27181]
CHEMBL1189085
| SMILES | O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N/C(S)=N\c3ccc(C4CNCCc5cc(O)c(O)cc54)cc3)cc21 |
| InChIKey | KWGVYZBWQPYGEM-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 3 |
| Log P | 6.384 |
| Molecular weight (Da) | 659.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL1189085
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