Compound Detail
CHEMBL235641
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Basic Information
| ChEMBL ID | CHEMBL235641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFBGXTUGODTSPK-BAQGIRSFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.51
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase tousled-like 2 CHEMBL5404 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| Serine/threonine-protein kinase Nek7 CHEMBL4849 | IC50 | 5.14 | 5.14 | 7280.0 | 1 |
| Serine/threonine-protein kinase Nek6 CHEMBL4309 | IC50 | 4.22 | 4.22 | 59800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase tousled-like 2 | IC50 | = | 61.0 | nM | 7.21 | Inhibition of TLK2 (unknown origin) | 38636130 |
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 144.0 | nM | 6.84 | Inhibition of human MLK3 by ATP-competitive binding assay | 38346577 |
| Serine/threonine-protein kinase Nek7 | IC50 | = | 7280.0 | nM | 5.14 | Inhibition of human NEK7 using casein as substrate by [gamma-33P]-ATP assay | 30384048 |
| Serine/threonine-protein kinase Nek6 | IC50 | = | 59800.0 | nM | 4.22 | Inhibition of human NEK6 using casein as substrate by [gamma-33P]-ATP assay | 30384048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 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 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 38636130 | 10.1016/j.ejmech.2024.116357 | Serine/threonine-protein kinase tousled-like 2 | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 5 | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Fyn | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine