Compound Detail
CHEMBL1396239
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Basic Information
| ChEMBL ID | CHEMBL1396239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTEKNXCWZXDPEY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
1.74
ALogP
6
HBA
1
HBD
52.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.54 | 5.54 | 2870.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3070.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-le... | 33175530 |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 2870.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Unchecked | IC50 | = | 3070.0 | nM | 5.51 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33175530 | 10.1021/acs.jmedchem.0c01669 | ADMET | 3 |
| 33175530 | 10.1021/acs.jmedchem.0c01669 | No relevant target | 1 |
| 33175530 | 10.1021/acs.jmedchem.0c01669 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine