Compound Detail
CHEMBL5291279
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NC1=N[C@]2([C@H](O)N1)[C@@H](Cl)[C@H](CCl)[C@H]1CN3C(=O)c4cc(Br)c(Br)n4[C@@H]4NC(N)=N[C@@]43[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5291279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSWRDCQCGHAQMB-QCRYCDAWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
597.1
MW (Da)
0.28
ALogP
9
HBA
5
HBD
146.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 800.0 | nM | 6.1 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... | 30234295 |
| Leishmania donovani | EC50 | = | 1900.0 | nM | 5.72 | Antileishmanial activity against amastigote form of Leishmania donovani assessed... | 30234295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30234295 | 10.1021/acs.jnatprod.8b00159 | ADMET | 2 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | Trypanosoma brucei rhodesiense | 1 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | Leishmania donovani | 1 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine