Compound Detail
CHEMBL3608850
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Basic Information
| ChEMBL ID | CHEMBL3608850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKBRVRXAPWANPM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.60
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.92 | 5.81 | 1200.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 1200.0 | nM | 5.92 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/L28 axenic amast... | 29461823 |
| Leishmania donovani | IC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity against Leishmania donovani amastigotes expressing Luc ... | 29461823 |
| Leishmania infantum | IC50 | = | 2600.0 | nM | 5.58 | Antileishmanial activity against Leishmania infantum amastigotes infected in mou... | 29461823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26253632 | 10.1016/j.bmcl.2015.07.084 | Mycobacterium tuberculosis | 2 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Leishmania donovani | 2 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Mycobacterium tuberculosis | 2 |
| 26253632 | 10.1016/j.bmcl.2015.07.084 | Vero | 1 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Leishmania infantum | 1 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Trypanosoma cruzi | 1 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine