Compound Detail
CHEMBL290904
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Basic Information
| ChEMBL ID | CHEMBL290904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFPLHASLIOXVGS-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.13
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A CHEMBL1795176 | IC50 | 6.43 | 6.365 | 370.0 | 2 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.22 | 5.12 | 6000.0 | 2 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A | IC50 | = | 370.0 | nM | 6.43 | Inhibition of SETD8 (unknown origin) using [3H]SAM and HeLa nucleosomes as subst... | 35525212 |
| Replicase polyprotein 1ab | IC50 | = | 390.0 | nM | 6.41 | Inhibition of N-terminal 3xFlag-His6-tagged SARS-CoV-2 papain-like protease nsp3... | 35620927 |
| N-lysine methyltransferase KMT5A | IC50 | = | 500.0 | nM | 6.3 | Inhibition of SETD8 (unknown origin) | 30234987 |
| Cyclin-dependent kinase 4 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Cyclin-dependent kinase 4 (CDK4/cyclin Dl) | 10743948 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of CDK4/cyclin D1 (unknown origin) | 30234987 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculoviru... | 30234987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase ABL2 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase 4 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Mitogen-activated protein kinase 10 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase NLK | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 5 | 2 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine