Compound Detail
CHEMBL143265
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Basic Information
| ChEMBL ID | CHEMBL143265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORIBPRISLKRPRQ-CSKARUKUSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.31
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.19 | 5.325 | 650.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 5.4 | 5.37 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 650.0 | nM | 6.19 | Inhibition of Leishmania donovani amastigotes in human monocyte-derived macropha... | 17112640 |
| Leishmania major | IC50 | = | 4000.0 | nM | 5.4 | Growth inhibition of Leishmania major promastigotes assessed as [3H]thymidine in... | 17112640 |
| Leishmania major | IC50 | = | 4540.0 | nM | 5.34 | Anti-leishmanial activity against Leishmania major | 26188621 |
| Leishmania donovani | IC50 | = | 35000.0 | nM | 4.46 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727643 | 10.1016/j.bmcl.2012.05.112 | Staphylococcus aureus | 2 |
| 24565968 | 10.1016/j.bmc.2014.01.058 | NON-PROTEIN TARGET | 2 |
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Leishmania major | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Leishmania donovani | 1 |
| 19233646 | 10.1016/j.bmcl.2009.02.001 | Prostaglandin G/H synthase 2 | 1 |
| 19233646 | 10.1016/j.bmcl.2009.02.001 | RAW264.7 | 1 |
| - | 10.1007/s00044-011-9549-9 | SGC-7901 | 1 |
| - | 10.1007/s00044-011-9549-9 | HT-29 | 1 |
| 26188621 | 10.1016/j.ejmech.2015.06.052 | Leishmania major | 1 |
Data from ChEMBL 36 via Core Engine