Compound Detail
CHEMBL443678
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Basic Information
| ChEMBL ID | CHEMBL443678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDVVVQXRYFFKIA-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
1.67
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Farnesyltransferase, putative CHEMBL5223 | IC50 | 5.37 | 5.37 | 4250.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 3300.0 | nM | 5.48 | Trypanocidal activity against Trypanosoma brucei rhodesiense STIB 900 bloodstrea... | 17709461 |
| Plasmodium falciparum | IC50 | = | 4000.0 | nM | 5.4 | Antiplasmodial activity after 48 hrs against chloroquine and pyrimethamine-resis... | 17709461 |
| Farnesyltransferase, putative | IC50 | = | 4250.0 | nM | 5.37 | Inhibition of Leishmania major recombinant squalene synthase expressed in Escher... | 17709461 |
| Trypanosoma cruzi | IC50 | = | 5600.0 | nM | 5.25 | Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Tulahuen ... | 17709461 |
| Leishmania donovani | IC50 | = | 28700.0 | nM | 4.54 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amast... | 17709461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17709461 | 10.1128/aac.00205-07 | Leishmania amazonensis | 7 |
| 17709461 | 10.1128/aac.00205-07 | Plasmodium falciparum | 1 |
| 17709461 | 10.1128/aac.00205-07 | Trypanosoma brucei rhodesiense | 1 |
| 17709461 | 10.1128/aac.00205-07 | Trypanosoma cruzi | 1 |
| 17709461 | 10.1128/aac.00205-07 | L6 | 1 |
| 17709461 | 10.1128/aac.00205-07 | Leishmania donovani | 1 |
| 17709461 | 10.1128/aac.00205-07 | Squalene synthase | 1 |
| 17709461 | 10.1128/aac.00205-07 | Farnesyltransferase, putative | 1 |
Data from ChEMBL 36 via Core Engine