Compound Detail
CHEMBL572267
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Basic Information
| ChEMBL ID | CHEMBL572267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTWBTKJJXXRFTG-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
1.25
ALogP
4
HBA
3
HBD
109.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 76.0 | nM | 7.12 | Cytotoxicity against human MV522 cells after 48 hrs by trypan blue exclusion ass... | 20067264 |
| ADMET | IC50 | = | 54000.0 | nM | 4.27 | Cytotoxicity against human 8392B cells after 48 hrs by trypan blue exclusion ass... | 20067264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20067264 | 10.1021/jm901384s | Unchecked | 2 |
| 20067264 | 10.1021/jm901384s | NON-PROTEIN TARGET | 1 |
| 20067264 | 10.1021/jm901384s | ADMET | 1 |
Data from ChEMBL 36 via Core Engine