Compound Detail
CHEMBL5440285
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Basic Information
| ChEMBL ID | CHEMBL5440285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNXQUKKKMQRIRE-SDNWHVSQSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
513.1
MW (Da)
6.60
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.46 | 5.46 | 3450.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| NCM460 CHEMBL4483264 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| RKO CHEMBL614879 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of His-tagged BLM (unknown origin) expressed in Escherichia coli BL21... | 36459756 |
| SW480 | IC50 | = | 3450.0 | nM | 5.46 | Cytotoxicity against human SW480 cells assessed as inhibition of cell growth mea... | 36459756 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Disruption of BLM/5'-biotin-labeled duplex forked-DNA interaction incubated for ... | 36459756 |
| HCT-116 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against human HCT-116 cells assessed as inhibition of cell growth m... | 36459756 |
| NCM460 | IC50 | = | 9600.0 | nM | 5.02 | Cytotoxicity against human NCM460 cells assessed as inhibition of cell growth me... | 36459756 |
| RKO | IC50 | = | 12300.0 | nM | 4.91 | Cytotoxicity against human RKO cells assessed as inhibition of cell growth measu... | 36459756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36459756 | 10.1016/j.ejmech.2022.114944 | RecQ-like DNA helicase BLM | 3 |
| 36459756 | 10.1016/j.ejmech.2022.114944 | Unchecked | 1 |
| 36459756 | 10.1016/j.ejmech.2022.114944 | HCT-116 | 1 |
| 36459756 | 10.1016/j.ejmech.2022.114944 | SW480 | 1 |
| 36459756 | 10.1016/j.ejmech.2022.114944 | RKO | 1 |
| 36459756 | 10.1016/j.ejmech.2022.114944 | NCM460 | 1 |
Data from ChEMBL 36 via Core Engine