Compound Detail
CHEMBL1760533
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Basic Information
| ChEMBL ID | CHEMBL1760533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLPHFKCUDGGSRD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
310.2
MW (Da)
3.17
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 4.93 | 4.93 | 11720.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.92 | 4.92 | 11970.0 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 4.91 | 4.91 | 12380.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.58 | 4.58 | 26500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 11720.0 | nM | 4.93 | Cytotoxicity against human PC3 cells after 48 hrs by sulforhodamine B assay | 21482109 |
| HeLa | IC50 | = | 11970.0 | nM | 4.92 | Cytotoxicity against human HeLa cells after 48 hrs by sulforhodamine B assay | 21482109 |
| HCT-15 | IC50 | = | 12380.0 | nM | 4.91 | Cytotoxicity against human HCT15 cells after 48 hrs by sulforhodamine B assay | 21482109 |
| Giardia intestinalis | IC50 | = | 24400.0 | nM | 4.61 | Antiparasitic activity against Giardia lamblia WB trophozoites assessed as paras... | 29449910 |
| THP-1 | IC50 | = | 26500.0 | nM | 4.58 | Cytotoxicity against human THP1 cells after 48 hrs by sulforhodamine B assay | 21482109 |
Literature References
Data from ChEMBL 36 via Core Engine