Compound Detail
CHEMBL1770165
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Basic Information
| ChEMBL ID | CHEMBL1770165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXWJIUNQTNDDFG-LICLKQGHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.70
ALogP
5
HBA
2
HBD
92.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| MCF7 CHEMBL387 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| T98G CHEMBL614775 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 4.295 | nM | 8.37 | Cytotoxicity against human U87 cells expressing wild-type p53 after 48 hrs by MT... | 22564383 |
| MCF7 | IC50 | = | 5.702 | nM | 8.24 | Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay | 22564383 |
| T98G | IC50 | = | 6.607 | nM | 8.18 | Cytotoxicity against human T98G cells expressing mutant p53 after 48 hrs by MTT ... | 22564383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 376848 | 10.1021/jm00193a020 | Plasmodium berghei | 5 |
| 21353348 | 10.1016/j.ejmech.2011.01.041 | Pichia kudriavzevii | 1 |
| 21353348 | 10.1016/j.ejmech.2011.01.041 | Candida albicans | 1 |
| 21353348 | 10.1016/j.ejmech.2011.01.041 | Nakaseomyces glabratus | 1 |
| 21353348 | 10.1016/j.ejmech.2011.01.041 | Candida parapsilosis | 1 |
| 22564383 | 10.1016/j.bmc.2012.04.027 | T98G | 1 |
| 22564383 | 10.1016/j.bmc.2012.04.027 | NON-PROTEIN TARGET | 1 |
| 22564383 | 10.1016/j.bmc.2012.04.027 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine