Compound Detail
CHEMBL1170112
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Basic Information
| ChEMBL ID | CHEMBL1170112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAHFDAVWIUCBTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.0
MW (Da)
4.28
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.31 | 4.31 | 49190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 49190.0 | nM | 4.31 | Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay | 20621733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20621733 | 10.1016/j.bmcl.2010.04.083 | HCT-116 | 1 |
| 20621733 | 10.1016/j.bmcl.2010.04.083 | A549 | 1 |
| 20621733 | 10.1016/j.bmcl.2010.04.083 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine