Compound Detail
CHEMBL16365
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Basic Information
| ChEMBL ID | CHEMBL16365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLPDHGOODMBBGN-VOTSOKGWSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.51
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.52 | 4.52 | 30190.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.51 | 4.51 | 30640.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.34 | 4.34 | 45530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 30190.0 | nM | 4.52 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 21570747 |
| HeLa | IC50 | = | 30640.0 | nM | 4.51 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 21570747 |
| NON-PROTEIN TARGET | IC50 | = | 45530.0 | nM | 4.34 | Antiproliferative activity against human LS 174T cells assessed as inhibition of... | 21570747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3625711 | 10.1021/jm00392a026 | No relevant target | 1 |
| 3625711 | 10.1021/jm00392a026 | Staphylococcus aureus | 1 |
| 3625711 | 10.1021/jm00392a026 | Streptococcus pyogenes | 1 |
| 3625711 | 10.1021/jm00392a026 | Microsporum canis | 1 |
| 12646026 | 10.1021/jm020334u | Polymerase acidic protein | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | unidentified influenza virus | 1 |
| 21570747 | 10.1016/j.ejmech.2011.04.043 | HeLa | 1 |
| 21570747 | 10.1016/j.ejmech.2011.04.043 | NON-PROTEIN TARGET | 1 |
| 21570747 | 10.1016/j.ejmech.2011.04.043 | K562 | 1 |
| 22211528 | 10.1021/cb200439z | Polymerase acidic protein | 1 |
| 7695269 | 10.1128/aac.38.12.2827 | Polymerase acidic protein | 1 |
| 30630715 | 10.1016/j.bmcl.2019.01.001 | Mycobacterium tuberculosis | 1 |
| 35244402 | 10.1021/acs.jmedchem.1c02113 | Cysteine protease ATG4B | 1 |
| 35244402 | 10.1021/acs.jmedchem.1c02113 | Phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine