Compound Detail
CHEMBL512562
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Basic Information
| ChEMBL ID | CHEMBL512562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LITKDIAXAOEWHC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
2.21
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UACC-903 CHEMBL612446 | IC50 | 4.8 | 4.71 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UACC-903 | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against human UACC-903 cells assessed as decrease in cell viability... | 19053750 |
| UACC-903 | IC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against human UACC-903 cells after 72 hrs by MTS assay | 19053750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053750 | 10.1021/jm800993r | UACC-903 | 2 |
Data from ChEMBL 36 via Core Engine