Compound Detail
CHEMBL4225400
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Basic Information
| ChEMBL ID | CHEMBL4225400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFADKJNVCXFXCM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.2
MW (Da)
4.10
ALogP
5
HBA
3
HBD
83.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 7.53 | 7.53 | 29.8 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 7.12 | 7.12 | 76.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 29.8 | nM | 7.53 | Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 h... | 29317148 |
| COLO 205 | IC50 | = | 76.5 | nM | 7.12 | Antiproliferative activity against human COLO205 cells harboring BRAF mutant/wil... | 29317148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29317148 | 10.1016/j.bmc.2017.12.019 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 29317148 | 10.1016/j.bmc.2017.12.019 | COLO 205 | 1 |
Data from ChEMBL 36 via Core Engine