Compound Detail
CHEMBL4557026
ERKi-NC Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4557026 |
| Name | ERKi-NC |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XACXTPQNHGFQOD-VIFPVBQESA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
1.73
ALogP
5
HBA
4
HBD
115.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.27
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.27 | 6.27 | 537.0 | 3 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 5.75 | 5.75 | 1780.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 538.0 | nM | 6.27 | GPCRScan assay: inhibition of 5-HT2B | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 537.03 | nM | 6.27 | GPCRScan assay: inhibition of 5-HT2B | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 538.0 | nM | 6.27 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000700a HTR2B | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 1780.0 | nM | 5.75 | ERK Biochemical Assay | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 1780.0 | nM | 5.75 | Affinity Biochemical interaction (Enzymatic assay) EUB0000700a MAPK1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507286 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507286 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507286 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4689842 | U2OS | 10 |
| - | 10.6019/CHEMBL4507286 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4507286 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507286 | Unchecked | 8 |
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 5 |
| - | 10.6019/CHEMBL4507286 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507286 | Mitogen-activated protein kinase 1 | 4 |
| - | 10.6019/CHEMBL4507286 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507286 | 5-hydroxytryptamine receptor 2B | 3 |
| - | 10.6019/CHEMBL4507286 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507286 | Ribosomal protein S6 kinase alpha-4 | 2 |
Data from ChEMBL 36 via Core Engine