Compound Detail
CHEMBL611815
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Basic Information
| ChEMBL ID | CHEMBL611815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDPGEFVUMRTSBB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
1.03
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.12 | 4.12 | 75600.0 | 1 |
| C6 CHEMBL614657 | IC50 | 4.12 | 4.12 | 76400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C6 | IC50 | = | 76400.0 | nM | 4.12 | Cytotoxicity against rat C6 cells incubated for 48 hrs by MTT assay | 23069682 |
| NON-PROTEIN TARGET | IC50 | = | 75600.0 | nM | 4.12 | Cytotoxicity against human U138MG cells incubated for 48 hrs by MTT assay | 23069682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19716307 | 10.1016/j.bmc.2009.08.002 | U-937 | 10 |
| 23069682 | 10.1016/j.ejmech.2012.09.007 | C6 | 1 |
| 23069682 | 10.1016/j.ejmech.2012.09.007 | NON-PROTEIN TARGET | 1 |
| 24418776 | 10.1016/j.bmcl.2013.12.104 | DNA polymerase I, thermostable | 1 |
Data from ChEMBL 36 via Core Engine