Compound Detail
CHEMBL516963
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CC1Nc2nc(NC(=O)c3ccc[n+](C)c3)[nH]c(=O)c2N(C(=O)c2ccc[n+](C)c2)C1C
Basic Information
| ChEMBL ID | CHEMBL516963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBUKPVKCXJMBPN-UHFFFAOYSA-P |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
0.52
ALogP
5
HBA
3
HBD
115.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 4.53 | 4.53 | 29420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 29420.0 | nM | 4.53 | Inhibition of human cloned wild type BRAF by ELISA-based MEK phosphorylation ass... | 18783202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783202 | 10.1021/jm800539g | Serine/threonine-protein kinase B-raf | 1 |
Data from ChEMBL 36 via Core Engine