Compound Detail
CHEMBL5558597
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O=C(NCCCCc1ccccc1)c1cccc(C2N(c3cccc4cccnc34)C(=O)CS2(=O)=O)c1
Basic Information
| ChEMBL ID | CHEMBL5558597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZPLCHNYNHZVSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
4.45
ALogP
5
HBA
1
HBD
96.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HOS-TE85 CHEMBL614038 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HOS-TE85 | IC50 | = | 25.0 | nM | 7.6 | Antiproliferative activity against human MNNG/HOS cells assessed as inhibition o... | 38232462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38232462 | 10.1016/j.ejmech.2023.116082 | HOS-TE85 | 1 |
Data from ChEMBL 36 via Core Engine