Compound Detail
CHEMBL4114639
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4114639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVHFRXOVGUDMBM-LJQANCHMSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.34
ALogP
4
HBA
2
HBD
77.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.19
Kd 1 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL2207 | Kd | 9.43 | 9.43 | 0.4 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL2207 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | Kd | = | 0.37 | nM | 9.43 | TdF (Temperature Dependence Fluorescence) Assay: The SAR (Structure Activity Rel... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.65 | nM | 9.19 | IMAP Assay: Activated ERK2 activity was also determined in the IMAP assay format... | - |
Data from ChEMBL 36 via Core Engine