Compound Detail
CHEMBL477252
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Basic Information
| ChEMBL ID | CHEMBL477252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHIDDJUPQZMALS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
2.94
ALogP
6
HBA
1
HBD
98.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 17800.0 | nM | 4.75 | Phototoxicity against human LoVo cells exposed to irradiation with 3.75 J/cm'2 U... | 19230658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19230658 | 10.1016/j.bmcl.2009.01.096 | ADMET | 3 |
| 19230658 | 10.1016/j.bmcl.2009.01.096 | LoVo | 3 |
| 19230658 | 10.1016/j.bmcl.2009.01.096 | K562 | 3 |
| 19230658 | 10.1016/j.bmcl.2009.01.096 | Jurkat | 3 |
Data from ChEMBL 36 via Core Engine