Compound Detail
CHEMBL1187774
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COc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2
Basic Information
| ChEMBL ID | CHEMBL1187774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POLUICWPCFPRKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
534.1
MW (Da)
6.71
ALogP
5
HBA
1
HBD
46.6
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.62 | 5.62 | 2420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 970.0 | nM | 6.01 | Trypanocidal activity against bloodstream form of Trypanosoma brucei 221 assesse... | 25678015 |
| L6 | IC50 | = | 2420.0 | nM | 5.62 | Cytotoxicity against rat L6 cells assessed as inhibition of cell growth after 6 ... | 25678015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25678015 | 10.1016/j.bmc.2015.01.031 | Trypanosoma brucei | 2 |
| 25678015 | 10.1016/j.bmc.2015.01.031 | Unchecked | 2 |
| 25678015 | 10.1016/j.bmc.2015.01.031 | Plasmodium falciparum | 1 |
| 25678015 | 10.1016/j.bmc.2015.01.031 | L6 | 1 |
Data from ChEMBL 36 via Core Engine