Compound Detail
CHEMBL244686
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Basic Information
| ChEMBL ID | CHEMBL244686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBYHGUKSPAVBEC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
5.91
ALogP
5
HBA
2
HBD
89.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.96 | 5.64 | 1100.0 | 2 |
| THP-1 CHEMBL614245 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.36 | 4.35 | 43410.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 1100.0 | nM | 5.96 | Antiamastigote activity against Leishmania infantum | 17418916 |
| Leishmania infantum | IC50 | = | 4800.0 | nM | 5.32 | Antipromastigote activity against Leishmania infantum | 17418916 |
| THP-1 | IC50 | = | 13400.0 | nM | 4.87 | Cytotoxicity against human THP1 cells | 17418916 |
| CHO | IC50 | = | 43410.0 | nM | 4.36 | Phototoxicity in transformed CHO cells after 24 hrs of UV irradiation by WST1 as... | 19217190 |
| CHO | IC50 | = | 45200.0 | nM | 4.34 | Phototoxicity in transformed CHO cells after 24 hrs incubation in dark by WST1 a... | 19217190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17418916 | 10.1016/j.ejmech.2007.02.010 | Leishmania infantum | 2 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | Unchecked | 2 |
| 19217190 | 10.1016/j.ejmech.2009.01.010 | CHO | 2 |
| 19217190 | 10.1016/j.ejmech.2009.01.010 | ADMET | 2 |
| 19217190 | 10.1016/j.ejmech.2009.01.010 | CHO-K1 | 2 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine