Compound Detail
CHEMBL505177
SCYTONEMIN Enter ChEMBL ID:
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O=C1C(C2=C3c4ccccc4NC3/C(=C\c3ccc(O)cc3)C2=O)=C2C(=Nc3ccccc32)/C1=C\c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL505177 |
| Name | SCYTONEMIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPGLJBDFRLADTG-RPCRKUJJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
6.52
ALogP
6
HBA
3
HBD
99.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 6.43 | 6.43 | 371.5 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | Ki | 5.81 | 5.81 | 1548.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 371.54 | nM | 6.43 | Inhibition of human recombinant CDK2/CycE using HHASPRK as substrate by ESI-MS a... | 22289061 |
| Tyrosine-protein kinase ZAP-70 | Ki | = | 1548.82 | nM | 5.81 | Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS ana... | 22289061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12762791 | 10.1021/np0204038 | HL-60 | 1 |
| 22289061 | 10.1021/jm200979x | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 22289061 | 10.1021/jm200979x | Tyrosine-protein kinase ZAP-70 | 1 |
| 22289061 | 10.1021/jm200979x | Protein-tyrosine kinase 2-beta | 1 |
Data from ChEMBL 36 via Core Engine