Compound Detail
CHEMBL560422
LESPEOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL560422 |
| Name | LESPEOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTLYOYNZZDSYSJ-XYOKQWHBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.90
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of melanin synthesis in NHEM after 24 hrs by liquid scintillation | 19102656 |
| Leishmania donovani | IC50 | = | 16500.0 | nM | 4.78 | Antileishmanial activity against intracellular amastigote form of Leishmania don... | 24635539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24635539 | 10.1021/jm401893j | Leishmania donovani | 2 |
| 19102656 | 10.1021/np800535g | Unchecked | 1 |
| 19102656 | 10.1021/np800535g | ADMET | 1 |
| 23270565 | 10.1021/jm300588j | Plasmodium falciparum | 1 |
| 24635539 | 10.1021/jm401893j | Vero | 1 |
| 24635539 | 10.1021/jm401893j | Unchecked | 1 |
| 39255387 | 10.1021/acs.jnatprod.4c00690 | Staphylococcus aureus | 1 |
| 39255387 | 10.1021/acs.jnatprod.4c00690 | Escherichia coli | 1 |
| 39255387 | 10.1021/acs.jnatprod.4c00690 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine