Compound Detail
CHEMBL4215123
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Basic Information
| ChEMBL ID | CHEMBL4215123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODYXURFGZZRYKZ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
6.85
ALogP
4
HBA
2
HBD
37.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.73 | 7.43 | 18.8 | 2 |
| Leishmania tropica CHEMBL612881 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.64 | 5.64 | 2310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 18.77 | nM | 7.73 | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as inhibition... | 37163950 |
| Plasmodium falciparum | IC50 | = | 73.35 | nM | 7.13 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as reduction in... | 37163950 |
| Leishmania tropica | IC50 | = | 810.0 | nM | 6.09 | Antileishmanial activity against Leishmania tropica MHOM/IT/2012/ISS3130 promast... | 30034591 |
| Leishmania infantum | IC50 | = | 1030.0 | nM | 5.99 | Antileishmanial activity against Leishmania infantum MHOM/TN/80/IPT1 promastigot... | 30034591 |
| THP-1 | IC50 | = | 2310.0 | nM | 5.64 | Cytotoxicity against PMA-differentiated human THP1 cells after 72 hrs by MTT ass... | 30034591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Unchecked | 2 |
| 37163950 | 10.1016/j.ejmech.2023.115458 | Plasmodium falciparum | 2 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Leishmania tropica | 1 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Leishmania infantum | 1 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine