Compound Detail
CHEMBL557285
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Basic Information
| ChEMBL ID | CHEMBL557285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEKITYQFCINBOB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2219622 |
| Active Moiety | CHEMBL2219622 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.7
MW (Da)
7.77
ALogP
4
HBA
0
HBD
58.6
PSA (Ų)
0.08
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 5.89 | 5.89 | 1290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 1290.0 | nM | 5.89 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigote... | 17908944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17908944 | 10.1128/aac.00465-07 | Leishmania donovani | 2 |
Data from ChEMBL 36 via Core Engine