Compound Detail
CHEMBL63275
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Basic Information
| ChEMBL ID | CHEMBL63275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBCJKVALTGCACO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
342.2
MW (Da)
4.56
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.46 | 5.24 | 3450.0 | 2 |
| DNA polymerase catalytic subunit CHEMBL4009 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3450.0 | nM | 5.46 | Inhibition of CREB-mediated gene transcription in human HEK293T cells by renilla... | 23102993 |
| Unchecked | IC50 | = | 9590.0 | nM | 5.02 | Inhibition of KIX domain of CBP interaction with KID domain of CREB after 20-24 ... | 23102993 |
| DNA polymerase catalytic subunit | IC50 | = | 22000.0 | nM | 4.66 | Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase | 10999475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23102993 | 10.1016/j.bmc.2012.09.056 | Unchecked | 2 |
| 10999475 | 10.1016/s0960-894x(00)00402-9 | DNA polymerase catalytic subunit | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | MDA-MB-231 | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | MDA-MB-468 | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | A549 | 1 |
| 23102993 | 10.1016/j.bmc.2012.09.056 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine