CHEMBL450041 [346818]
CHEMBL450041
| SMILES | CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N |
| InChIKey | CREJDTXJRYWTPO-XMMPIXPASA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 9 |
| Rotatable bonds | 13 |
| Log P | 2.805 |
| Molecular weight (Da) | 572.3 |
| Stereochemistry info | unspecified |
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 |
CHEMBL450041
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