Compound Detail
CHEMBL203823
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Basic Information
| ChEMBL ID | CHEMBL203823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWZZIWIQTQNJDG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
2.87
ALogP
7
HBA
2
HBD
88.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.18 | 4.18 | 66300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of falcipain2 | 16509575 |
| M-phase inducer phosphatase 1 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of CDC25A (unknown origin) using fluorescein diphosphate as substrate | 32603979 |
| HeLa | IC50 | = | 66300.0 | nM | 4.18 | Cytotoxicity against human HeLa cells assessed as inhibition of cell growth incu... | 32603979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509575 | 10.1021/jm0505765 | Falcipain 2 | 1 |
| 16509575 | 10.1021/jm0505765 | Cysteine protease falcipain-3 | 1 |
| 32603979 | 10.1016/j.ejmech.2020.112374 | M-phase inducer phosphatase 1 | 1 |
| 32603979 | 10.1016/j.ejmech.2020.112374 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine