Compound Detail
CHEMBL5440319
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Basic Information
| ChEMBL ID | CHEMBL5440319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUDJOIVQYIMGDK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.2
MW (Da)
4.48
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.14 | 7.14 | 72.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 272.8 | mL.min-1.kg-1 | Mus musculus |
| CL | 54.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 52.6 | mL.min-1.kg-1 | Mus musculus |
| F | 50.8 | % | Mus musculus |
| Vd | 2.7 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 0.88 | nM | 9.06 | Inhibition of His tagged human recombinant CDK8/Cyclin C expressed in baculoviru... | 37029334 |
| MV4-11 | IC50 | = | 72.8 | nM | 7.14 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 37029334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37029334 | 10.1021/acs.jmedchem.2c01718 | ADMET | 6 |
| 37029334 | 10.1021/acs.jmedchem.2c01718 | CDK8/Cyclin C | 1 |
| 37029334 | 10.1021/acs.jmedchem.2c01718 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine