Compound Detail
CHEMBL3337531
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Basic Information
| ChEMBL ID | CHEMBL3337531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKVJCVWFVRATSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
124.1
MW (Da)
0.88
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 34000.0 | nM | 4.47 | Antileishmanial activity against promastigote forms of Leishmania donovani by al... | 25084548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25084548 | 10.1021/np5000473 | Leishmania donovani | 2 |
Data from ChEMBL 36 via Core Engine