Compound Detail
CHEMBL5542939
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Basic Information
| ChEMBL ID | CHEMBL5542939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZDAOLSCIOEXGY-OYEQKBROSA-N |
| Parent Compound | CHEMBL6069683 |
| Active Moiety | CHEMBL6069683 |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.6
MW (Da)
5.49
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania mexicana CHEMBL612880 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
| J774.A1 CHEMBL614040 | EC50 | 6.26 | 6.26 | 547.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.8467 | hr | Homo sapiens |
| T1/2 | 0.275 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania mexicana | EC50 | = | 15.8 | nM | 7.8 | Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 amastigotes... | 38722757 |
| J774.A1 | EC50 | = | 547.0 | nM | 6.26 | Cytotoxicity against mouse J774.A1 cells assessed as reduction in cell survival ... | 38722757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38722757 | 10.1021/acs.jmedchem.4c00517 | ADMET | 3 |
| 38722757 | 10.1021/acs.jmedchem.4c00517 | Leishmania mexicana | 2 |
| 38722757 | 10.1021/acs.jmedchem.4c00517 | J774.A1 | 2 |
Data from ChEMBL 36 via Core Engine