Compound Detail
CHEMBL1652711
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1652711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIINIMHTUGVQHA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
2.44
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Casein kinase II CHEMBL2095191 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.4 | 5.4 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of PARP1 by chemiluminescence assay | 21174434 |
| Casein kinase II | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco... | 21174434 |
| Casein kinase II subunit alpha | IC50 | = | 4000.0 | nM | 5.4 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 4000.0 | nM | 5.4 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21174434 | 10.1021/jm101251q | Poly [ADP-ribose] polymerase 1 | 2 |
| 21174434 | 10.1021/jm101251q | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine