Compound Detail
CHEMBL3120227
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Basic Information
| ChEMBL ID | CHEMBL3120227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUGRBQOPMQPTAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.43
ALogP
4
HBA
2
HBD
79.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SQ20B CHEMBL614939 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SQ20B | IC50 | = | 85000.0 | nM | 4.07 | Cytotoxicity against human SQ20B cells after 72 hrs by MTT assay | 24445311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24445311 | 10.1016/j.ejmech.2013.12.020 | SQ20B | 1 |
Data from ChEMBL 36 via Core Engine