Compound Detail
CHEMBL3581919
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Basic Information
| ChEMBL ID | CHEMBL3581919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWEHMVZHDWOFAG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.60
ALogP
3
HBA
1
HBD
41.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| LLC-MK2 CHEMBL614691 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity against promastigote stage of Leishmania infantum MHOM/... | 25924111 |
| Trypanosoma cruzi | IC50 | = | 8000.0 | nM | 5.1 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma cruzi Y as... | 25924111 |
| LLC-MK2 | IC50 | = | 26000.0 | nM | 4.58 | Cytotoxicity against rhesus monkey LLC-MK2 cells assessed as inhibition of cell ... | 25924111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25924111 | 10.1021/acs.jnatprod.5b00070 | Leishmania infantum | 2 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | Trypanosoma cruzi | 2 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | A549 | 1 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | HeLa | 1 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | MCF7 | 1 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | LLC-MK2 | 1 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine