Compound Detail
CHEMBL1891423
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Basic Information
| ChEMBL ID | CHEMBL1891423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZMKGWRBZNOIPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
1.40
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 3.31 | 3.31 | 492000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of PARP-1 (unknown origin) after 60 mins by colorimetric assay | 24074844 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 492000.0 | nM | 3.31 | Competitive inhibition of PDK1 using [gamma-33P]-ATP as substrate after 30 mins ... | 22591730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24074844 | 10.1016/j.bmcl.2013.09.007 | Poly [ADP-ribose] polymerase 1 | 2 |
| 31584822 | 10.1021/acs.jmedchem.9b01198 | Clostridioides difficile | 2 |
| 22591730 | 10.1016/j.bmcl.2012.04.080 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine