Compound Detail
CHEMBL1364621
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Basic Information
| ChEMBL ID | CHEMBL1364621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIHDTJRXBMXFDL-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.06
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 4.35 | 4.35 | 44537.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 44537.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24631733 | 10.1016/j.ejmech.2014.03.006 | HeLa | 4 |
| 10479319 | 10.1021/np990139r | HaCaT | 2 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | A2780 | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | HBL-100 | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | HeLa | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | SW1573 | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | T47D | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | WiDr | 1 |
| 24631733 | 10.1016/j.ejmech.2014.03.006 | ADMET | 1 |
| 24631733 | 10.1016/j.ejmech.2014.03.006 | Cellular tumor antigen p53 | 1 |
Data from ChEMBL 36 via Core Engine