Compound Detail
CHEMBL4872202
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Basic Information
| ChEMBL ID | CHEMBL4872202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCEGMVZBALJQBV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
284.8
MW (Da)
4.64
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.31 | 5.31 | 4870.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.16 | 5.16 | 6982.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.08 | 5.08 | 8319.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.06 | 5.06 | 8788.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.01 | 5.01 | 9687.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4870.0 | nM | 5.31 | Antiplasmodial activity against Plasmodium falciparum K1 | 37163950 |
| HepG2 | IC50 | = | 6982.0 | nM | 5.16 | Antiproliferative activity against human HepG2 cells assessed as reduction in ce... | 34455231 |
| B16-F10 | IC50 | = | 8319.0 | nM | 5.08 | Antiproliferative activity against mouse B16-F10 cells assessed as reduction in ... | 34455231 |
| HeLa | IC50 | = | 8788.0 | nM | 5.06 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 34455231 |
| MCF7 | IC50 | = | 9687.0 | nM | 5.01 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 34455231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34455231 | 10.1016/j.bmc.2021.116376 | B16-F10 | 1 |
| 34455231 | 10.1016/j.bmc.2021.116376 | HepG2 | 1 |
| 34455231 | 10.1016/j.bmc.2021.116376 | HeLa | 1 |
| 34455231 | 10.1016/j.bmc.2021.116376 | MCF7 | 1 |
| 37163950 | 10.1016/j.ejmech.2023.115458 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine