Compound Detail
CHEMBL203702
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Basic Information
| ChEMBL ID | CHEMBL203702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRCDNTKZCLFRJB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
580.8
MW (Da)
0.75
ALogP
10
HBA
4
HBD
145.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.13 | 5.13 | 7430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 930.0 | nM | 6.03 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 16343898 |
| Plasmodium falciparum | IC50 | = | 2250.0 | nM | 5.65 | Antiplasmodial activity against Plasmodium falciparum 3D7 | 16343898 |
| Leishmania donovani | IC50 | = | 7430.0 | nM | 5.13 | Antiprotozoal activity against Leishmania donovani | 16343898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16343898 | 10.1016/j.bmcl.2005.11.060 | ADMET | 3 |
| 16343898 | 10.1016/j.bmcl.2005.11.060 | Leishmania donovani | 1 |
| 16343898 | 10.1016/j.bmcl.2005.11.060 | Trypanosoma brucei rhodesiense | 1 |
| 16343898 | 10.1016/j.bmcl.2005.11.060 | Plasmodium falciparum | 1 |
| 16343898 | 10.1016/j.bmcl.2005.11.060 | KB | 1 |
Data from ChEMBL 36 via Core Engine