Compound Detail
CHEMBL89187
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Basic Information
| ChEMBL ID | CHEMBL89187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFHLXOBAUMFTBL-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
356.6
MW (Da)
5.93
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
EC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.02 | 6.02 | 961.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.7 | 5.35 | 2000.0 | 4 |
| Jurkat CHEMBL397 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 961.0 | nM | 6.02 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... | 22119463 |
| Trypanosoma cruzi | IC50 | = | 2000.0 | nM | 5.7 | Antiprotozoal activity against Trypanosoma cruzi CL-B5 strain epimastigotes | 28886510 |
| Trypanosoma cruzi | IC50 | = | 2000.0 | nM | 5.7 | Antiprotozoal activity against Trypanosoma cruzi CL-B5 strain amastigotes | 28886510 |
| Jurkat | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory concentration required for 50% apoptosis induction was evaluated usin... | 12182874 |
| Trypanosoma cruzi | IC50 | = | 10000.0 | nM | 5.0 | Antiprotozoal activity against Trypanosoma cruzi MG strain epimastigotes | 28886510 |
| Trypanosoma cruzi | IC50 | = | 10000.0 | nM | 5.0 | Antiprotozoal activity against Trypanosoma cruzi JEM strain epimastigotes | 28886510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania amazonensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania braziliensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania donovani | 4 |
| 19703769 | 10.1016/j.bmcl.2009.07.147 | Mycobacterium tuberculosis | 4 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Trypanosoma cruzi | 4 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | Macrophage | 3 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | ADMET | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | NON-PROTEIN TARGET | 2 |
| 12182874 | 10.1016/s0960-894x(02)00476-6 | Jurkat | 1 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | Lymphocyte | 1 |
| 22119463 | 10.1016/j.bmcl.2011.10.108 | Trypanosoma brucei rhodesiense | 1 |
| 22119463 | 10.1016/j.bmcl.2011.10.108 | Trypanosoma brucei gambiense | 1 |
| 22119463 | 10.1016/j.bmcl.2011.10.108 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine