Compound Detail
CHEMBL373011
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 | CHEMBL373011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXJLXRNWMLWVFB-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
347.8
MW (Da)
5.16
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Kd 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 8.62 | 8.62 | 2.4 | 2 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 77.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 1.4 | nM | 8.85 | Inhibition of Raf1 kinase | 18346893 |
| Serine/threonine-protein kinase B-raf | Kd | = | 2.4 | nM | 8.62 | Binding affinity at bRaf kinase in fluorescent ligand displacement assay | 16260133 |
| Serine/threonine-protein kinase B-raf | Kd | = | 2.4 | nM | 8.62 | Binding affinity to B-Raf by fluorescene ligand binding assay | 18621524 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 10.0 | nM | 8.0 | Inhibition bRaf kinase activity | 16260133 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 10.0 | nM | 8.0 | Inhibition of B-Raf V600E mutant | 21211972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Unchecked | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Serine/threonine-protein kinase B-raf | 2 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Mitogen-activated protein kinase 14 | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Rho-associated protein kinase 2 | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Protein kinase C alpha type | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | RAC-alpha serine/threonine-protein kinase | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | cAMP-dependent protein kinase (PKA) | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Phosphorylase kinase | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Ribosomal protein S6 kinase (P70S6K) | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | MAP kinase-activated protein kinase 2 | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Mitogen-activated protein kinase 1 | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Tyrosine-protein kinase Lck | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Mitogen-activated protein kinase 8 | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Glycogen synthase kinase-3 beta | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Casein kinase II | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine