Compound Detail
CHEMBL471621
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Basic Information
| ChEMBL ID | CHEMBL471621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBTRITBHNNPZMF-NJZPMAKVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.7
MW (Da)
6.01
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUP-T1 CHEMBL614940 | IC50 | 4.54 | 4.54 | 29080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUP-T1 | IC50 | = | 29080.0 | nM | 4.54 | Cytotoxicity against human SupT1 cells after 24 hrs by CellTiter-Blue assay | 19171486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19171486 | 10.1016/j.bmc.2009.01.005 | SUP-T1 | 1 |
Data from ChEMBL 36 via Core Engine