Compound Detail
CHEMBL91489
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Basic Information
| ChEMBL ID | CHEMBL91489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPBICIWSKQFKLN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
5.98
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyltransferase CHEMBL2111393 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.57 | 5.57 | 2700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyltransferase | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against yeast farnesyltransferase | 11543680 |
| Plasmodium falciparum | IC50 | = | 2700.0 | nM | 5.57 | Inhibitory activity against Plasmodium falciparum Dd2 in erythrocytes | 11212126 |
| Plasmodium falciparum | IC50 | = | 2700.0 | nM | 5.57 | Antimalarial activity against Plasmodium falciparum Dd2 in erythrocytes | 11844668 |
| Plasmodium falciparum | IC50 | = | 2700.0 | nM | 5.57 | Inhibitory concentration against multidrug-resistant Plasmodium falciparum Dd2. | 12217353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212126 | 10.1016/s0960-894x(00)00684-3 | Plasmodium falciparum | 1 |
| 11844668 | 10.1016/s0960-894x(01)00798-3 | Plasmodium falciparum | 1 |
| 12217353 | 10.1016/s0960-894x(02)00555-3 | Plasmodium falciparum | 1 |
| 11543680 | 10.1021/jm010873j | Farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine