Compound Detail
CHEMBL5569739
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Cc1cc(OCCCCCNC(C)(C)C)cc2oc3cc(OCCCCCNC(C)(C)C)cc(O)c3c(=O)c12
Basic Information
| ChEMBL ID | CHEMBL5569739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCFYCGPFSDBLMM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
540.8
MW (Da)
6.83
ALogP
7
HBA
3
HBD
93.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | IC50 | = | 2400.0 | nM | 5.62 | Antileishmanial activity against Leishmania braziliensis promastigotes | 37976706 |
| Leishmania major | IC50 | = | 5400.0 | nM | 5.27 | Antileishmanial activity against Leishmania major promastigotes | 37976706 |
| ADMET | IC50 | = | 15500.0 | nM | 4.81 | Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... | 37976706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania braziliensis | 1 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania major | 1 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine