AS101 [986]
AS101
| SMILES | CCCn1c(=O)c2c(n(CCC)c1=O)=N/C(=C1/C=C(OC(=O)CNc3ccc(OC)c(OC)c3)NN1C)N=2 |
| InChIKey | OZNDSRMQISJHIZ-JWGURIENSA-N |
Chemical Properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Log P | 0.216 |
| Molecular weight (Da) | 525.2 |
| 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 |
AS101
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