CHEMBL5440823 [389491]
CHEMBL5440823
| SMILES | N=C(N)NCCC[C@H](NC(=O)c1ccc(/N=N\c2ccc(CNC(=O)[C@@H]3CSSC[C@H](N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)cc2)cc1)C(=O)NCC(N)=O |
| InChIKey | QSXPTSWKVFPNTA-CQSIMBTHSA-N |
Chemical Properties
| Hydrogen bond acceptors | 18 |
| Hydrogen bond donors | 16 |
| Rotatable bonds | 23 |
| Log P | -1.840 |
| Molecular weight (Da) | 1223.5 |
| 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 |
CHEMBL5440823
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