Compound Detail
CHEMBL1240885
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Basic Information
| ChEMBL ID | CHEMBL1240885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQPMANVRZYYQMD-UHFFFAOYSA-N |
13
Targets
40
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
1.82
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 36 meas. best 6.29
Ki 4 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | Ki | 6.47 | 6.265 | 340.0 | 2 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 6.2 | 5.9838 | 628.2 | 13 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | Ki | 6.0 | 6.0 | 1010.0 | 2 |
| Serine/threonine-protein kinase BRSK2 CHEMBL4574 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 5.82 | 5.7473 | 1530.0 | 11 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Proto-oncogene tyrosine-protein kinase LCK CHEMBL2480 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 5.57 | 5.57 | 2700.0 | 2 |
| Eukaryotic translation initiation factor 4E CHEMBL4848 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.08 | 5.08 | 8240.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.99 | 4.99 | 10210.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.93 | 4.93 | 11680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25800647 | 10.1016/j.ejmech.2015.03.032 | MV4-11 | 14 |
| 34515481 | 10.1021/acs.jmedchem.1c01084 | MOLM-13 | 13 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 38759457 | 10.1016/j.ejmech.2024.116499 | K562 | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 38759457 | 10.1016/j.ejmech.2024.116499 | MOLM-13 | 4 |
| 26408454 | 10.1016/j.ejmech.2015.09.008 | MAP kinase-interacting serine/threonine-protein kinase 2 | 3 |
| 34515481 | 10.1021/acs.jmedchem.1c01084 | Unchecked | 3 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase ABL2 | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Calcium/calmodulin-dependent protein kinase type 1D | 2 |
Data from ChEMBL 36 via Core Engine