Compound Detail
CHEMBL5171611
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Basic Information
| ChEMBL ID | CHEMBL5171611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCTDBBGROYUUOS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
6.72
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) CHEMBL614194 | IC50 | 6.52 | 6.12 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human Panel NCI-60 (60 carcinoma cell lines) | 34332400 |
| Panel NCI-60 (60 carcinoma cell lines) | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against human Panel NCI-60 (60 carcinoma cell lines) assessed as ce... | 33684825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33684825 | 10.1016/j.ejmech.2021.113321 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 34332400 | 10.1016/j.ejmech.2021.113688 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine