Compound Detail
CHEMBL5194853
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Basic Information
| ChEMBL ID | CHEMBL5194853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLZFNFXVGCTDLL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.94
ALogP
4
HBA
2
HBD
75.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 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 |
| RPMI-8226 CHEMBL614882 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
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 |
| RPMI-8226 | IC50 | = | 360.0 | nM | 6.44 | Cytotoxicity against human RPMI-8226 cells assessed as cell growth inhibition | 33684825 |
| CCRF-CEM | IC50 | = | 880.0 | nM | 6.06 | Cytotoxicity against human CCRF-CEM cells assessed as cell growth inhibition | 33684825 |
| 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 |
| 33684825 | 10.1016/j.ejmech.2021.113321 | RPMI-8226 | 1 |
| 33684825 | 10.1016/j.ejmech.2021.113321 | CCRF-CEM | 1 |
| 34332400 | 10.1016/j.ejmech.2021.113688 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 36669398 | 10.1016/j.ejmech.2023.115121 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine