Compound Detail
CHEMBL1257719
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Basic Information
| ChEMBL ID | CHEMBL1257719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMDHHQAPBWEDKX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
4.95
ALogP
7
HBA
3
HBD
109.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| HS27 CHEMBL614666 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.12 | 6.12 | 765.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 4.71 | 4.71 | 19500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6.0 | nM | 8.22 | Cytotoxicity against human A375P cells after 24 hrs by MTT assay | 20797858 |
| HS27 | IC50 | = | 230.0 | nM | 6.64 | Cytotoxicity against human HS27 cells after 24 hrs by MTT assay | 20797858 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 765.0 | nM | 6.12 | Inhibition of c-Raf | 20797858 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 19500.0 | nM | 4.71 | Inhibition of b-Raf V600E mutant | 20797858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20797858 | 10.1016/j.bmcl.2010.08.010 | NON-PROTEIN TARGET | 1 |
| 20797858 | 10.1016/j.bmcl.2010.08.010 | HS27 | 1 |
| 20797858 | 10.1016/j.bmcl.2010.08.010 | Serine/threonine-protein kinase B-raf | 1 |
| 20797858 | 10.1016/j.bmcl.2010.08.010 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine