Compound Detail
CHEMBL1644024
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Basic Information
| ChEMBL ID | CHEMBL1644024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRDVIKYTLLICEK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.94
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.26 | 5.26 | 5540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 980.0 | nM | 6.01 | Antiproliferative activity against mouse P388D1 cells after 48 hrs by MTT assay | 21208805 |
| HeLa | IC50 | = | 5300.0 | nM | 5.28 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 21208805 |
| HepG2 | IC50 | = | 5540.0 | nM | 5.26 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 21208805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21208805 | 10.1016/j.bmc.2010.11.055 | Calf thymus DNA | 2 |
| 21208805 | 10.1016/j.bmc.2010.11.055 | HeLa | 1 |
| 21208805 | 10.1016/j.bmc.2010.11.055 | NON-PROTEIN TARGET | 1 |
| 21208805 | 10.1016/j.bmc.2010.11.055 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine