Compound Detail
CHEMBL244120
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Basic Information
| ChEMBL ID | CHEMBL244120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCZOEVWSNGKUQM-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.87
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.87 | 5.14 | 1340.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.89 | 4.61 | 12800.0 | 2 |
| THP-1 CHEMBL614245 | IC50 | 4.72 | 4.72 | 18900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 570.0 | nM | 6.24 | Phototoxicity in normal human keratinocytes after 24 hrs of UV irradiation by WS... | 19217190 |
| CHO | IC50 | = | 1340.0 | nM | 5.87 | Phototoxicity in transformed CHO cells after 24 hrs of UV irradiation by WST1 as... | 19217190 |
| Leishmania infantum | IC50 | = | 12800.0 | nM | 4.89 | Antiamastigote activity against Leishmania infantum | 17418916 |
| THP-1 | IC50 | = | 18900.0 | nM | 4.72 | Cytotoxicity against human THP1 cells | 17418916 |
| CHO | IC50 | = | 38900.0 | nM | 4.41 | Phototoxicity in transformed CHO cells after 24 hrs incubation in dark by WST1 a... | 19217190 |
| Leishmania infantum | IC50 | = | 46700.0 | nM | 4.33 | Antipromastigote activity against Leishmania infantum | 17418916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217190 | 10.1016/j.ejmech.2009.01.010 | CHO-K1 | 4 |
| 19217190 | 10.1016/j.ejmech.2009.01.010 | ADMET | 3 |
| 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 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine