Compound Detail
CHEMBL4755300
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COC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc32)c(C)n1
Basic Information
| ChEMBL ID | CHEMBL4755300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTOOKJHOCCHDNC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.09
ALogP
7
HBA
2
HBD
111.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 100000.0 | nM | 4.0 | Antileishmanial activity against Leishmania donovani MHOM/80/IN/Dd8 promastigote... | 26791014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26791014 | 10.1016/j.bmcl.2015.12.095 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine