Compound Detail
CHEMBL3753294
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CC(=O)N[C@@H](CSC(=S)Nc1cccc(NC(=S)SC[C@H](NC(C)=O)C(=O)O)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3753294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJDPJXVXVFRQII-KBPBESRZSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
1.73
ALogP
8
HBA
6
HBD
156.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26639764 | 10.1016/j.bmcl.2015.11.045 | LoVo | 1 |
| 26639764 | 10.1016/j.bmcl.2015.11.045 | NON-PROTEIN TARGET | 1 |
| 26639764 | 10.1016/j.bmcl.2015.11.045 | Histone deacetylase | 1 |
| 26639764 | 10.1016/j.bmcl.2015.11.045 | BALB/3T3 | 1 |
Data from ChEMBL 36 via Core Engine