Compound Detail
CHEMBL1813917
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CC(C)Oc1cc(NC(=N)c2ccc(Cl)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc(Cl)cn3)cc2OC(C)C)o1
Basic Information
| ChEMBL ID | CHEMBL1813917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBUJKJLGGOFMAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
643.6
MW (Da)
9.16
ALogP
7
HBA
4
HBD
129.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 5600.0 | nM | 5.25 | Antileishmanial activity against Leishmania donovani axenic amastigotes after 3 ... | 21741248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania donovani | 1 |
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine