Compound Detail
CHEMBL2030274
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Basic Information
| ChEMBL ID | CHEMBL2030274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCIOTUWWAPZEBR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
5.28
ALogP
6
HBA
3
HBD
108.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.1 | 6.88 | 80.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 5.965 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human 6x-His tagged BRAF V600E mutant expressed in Sf9 cells by EL... | 22537109 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA... | 22537109 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of chymotrypsin-like activity of proteasome by fluorogenic assay | 22220566 |
| Unchecked | IC50 | = | 4220.0 | nM | 5.38 | Inhibition of trypsin-like activity of proteasome by fluorogenic assay | 22220566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22537109 | 10.1021/jm3004416 | Serine/threonine-protein kinase B-raf | 5 |
| 22220566 | 10.1021/jm201118h | Unchecked | 3 |
| 22537109 | 10.1021/jm3004416 | Unchecked | 3 |
| 22537109 | 10.1021/jm3004416 | NON-PROTEIN TARGET | 3 |
| 22537109 | 10.1021/jm3004416 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 22537109 | 10.1021/jm3004416 | Serine/threonine-protein kinase PAK 1 | 1 |
| 22537109 | 10.1021/jm3004416 | Serine/threonine-protein kinase pim-1 | 1 |
| 22537109 | 10.1021/jm3004416 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 22537109 | 10.1021/jm3004416 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine