Compound Detail
CHEMBL1616819
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Basic Information
| ChEMBL ID | CHEMBL1616819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANPPGACKDCNCDR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
4.61
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 22000.0 | nM | 4.66 | Antiproliferative activity against human HeLa cells assessed as growth inhibitio... | 25304894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 25304894 | 10.1016/j.bmcl.2014.09.015 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine