Compound Detail
CHEMBL471901
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Basic Information
| ChEMBL ID | CHEMBL471901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQNFLNSVHWCZML-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
1.71
ALogP
6
HBA
4
HBD
119.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.15 | 7.58 | 7.0 | 4 |
| Lysine--tRNA ligase CHEMBL5575 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Calcium/calmodulin-dependent protein kinase type 1D CHEMBL5073 | IC50 | 6.37 | 6.355 | 432.0 | 2 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [g... | 32433887 |
| Tyrosine-protein kinase SYK | IC50 | = | 41.0 | nM | 7.39 | Inhibition of SYK | 18938080 |
| Tyrosine-protein kinase SYK | IC50 | = | 41.0 | nM | 7.39 | Inhibition of recombinant Syk | 19254842 |
| Lysine--tRNA ligase | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human Syk | 18585046 |
| Tyrosine-protein kinase SYK | IC50 | = | 41.0 | nM | 7.39 | Inhibition of spleen tyrosine kinase (unknown origin) | 23917087 |
| Calcium/calmodulin-dependent protein kinase type 1D | IC50 | = | 432.0 | nM | 6.37 | Inhibition of recombinant human full-length His-tagged CAMK1D expressed in bacul... | 32433887 |
| Calcium/calmodulin-dependent protein kinase type 1D | IC50 | = | 456.0 | nM | 6.34 | Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamm... | 32433887 |
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 11200.0 | nM | 4.95 | Inhibition of human ZAP70 | 18585046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 32433887 | 10.1021/acs.jmedchem.9b01803 | Calcium/calmodulin-dependent protein kinase type 1D | 3 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 5 | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase NLK | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
Data from ChEMBL 36 via Core Engine