Compound Detail
CHEMBL304624
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Basic Information
| ChEMBL ID | CHEMBL304624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPDQHNUZQHJLSJ-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.51
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.64
Kd 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 8.1 | 8.1 | 8.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 7.64 | 7.64 | 23.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.245 | 23.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | Kd | = | 8.0 | nM | 8.1 | Binding affinity at bRaf kinase in fluorescent ligand displacement assay | 16260133 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 23.0 | nM | 7.64 | Inhibitory activity against recombinant human RAF proto-oncogene serine/threonin... | 10377223 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Raf1 kinase | 18346893 |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human recombinant full-length c-Raf expressed in baculovirus-infec... | 27559828 |
| MAP kinase p38 | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase) | 10377223 |
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibition of p38-MAPK (unknown origin) | 27559828 |
| Bromodomain testis-specific protein | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of human recombinant BRDT | 27559828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27559828 | 10.1021/acs.jmedchem.6b00438 | Unchecked | 2 |
| 10377223 | 10.1021/jm9805236 | MAP kinase p38 | 1 |
| 10377223 | 10.1021/jm9805236 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Serine/threonine-protein kinase B-raf | 1 |
| 18346893 | 10.1016/j.bmcl.2008.02.068 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 27559828 | 10.1021/acs.jmedchem.6b00438 | Bromodomain testis-specific protein | 1 |
Data from ChEMBL 36 via Core Engine