Compound Detail
CHEMBL304567
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Basic Information
| ChEMBL ID | CHEMBL304567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVQQPFHYIOOQAG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.66
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 9000.0 | nM | 5.05 | Antileishmanial activity against log phase of wild type Leishmania donovani MHOM... | 35434631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent dopamine transporter | 1 |
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent serotonin transporter | 1 |
| 35434631 | 10.1039/d1md00336d | Leishmania donovani | 1 |
| 35434631 | 10.1039/d1md00336d | Macrophage | 1 |
| 35434631 | 10.1039/d1md00336d | ADMET | 1 |
Data from ChEMBL 36 via Core Engine