Compound Detail
CHEMBL5429036
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O=C(N/N=C1\C(=O)N(CC(O)COc2cc(=O)oc3ccccc23)c2ccccc21)c1ccncc1
Basic Information
| ChEMBL ID | CHEMBL5429036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTDBFUMYMMYKTN-COOPMVRXSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
2.11
ALogP
8
HBA
2
HBD
134.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Leishmania tropica CHEMBL612881 | IC50 | 7.0 | 6.53 | 100.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 30.0 | nM | 7.52 | Antileishmanial activity against Leishmania infantum LEM 3049 isolate promastigo... | 37976706 |
| Leishmania tropica | IC50 | = | 100.0 | nM | 7.0 | Antileishmanial activity against Leishmania tropica promastigotes incubated for ... | 37031526 |
| Leishmania tropica | IC50 | = | 100.0 | nM | 7.0 | Antileishmanial activity against Leishmania tropica promastigotes assessed as re... | 37976706 |
| Leishmania tropica | IC50 | = | 100.0 | nM | 7.0 | Antileishmanial activity against Leishmania tropica promastigotes incubated for ... | 37421889 |
| Leishmania tropica | IC50 | = | 870.0 | nM | 6.06 | Antileishmanial activity against Leishmania tropica amastigotes incubated for 24... | 37031526 |
| Leishmania tropica | IC50 | = | 870.0 | nM | 6.06 | Antileishmanial activity against Leishmania tropica MON-102 intracellular amasti... | 37976706 |
| Leishmania tropica | IC50 | = | 870.0 | nM | 6.06 | Antileishmanial activity against Leishmania tropica amastigotes incubated for 24... | 37421889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37031526 | 10.1016/j.ejmech.2023.115333 | Leishmania tropica | 2 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania tropica | 2 |
| 37421889 | 10.1016/j.ejmech.2023.115609 | Leishmania tropica | 2 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine