Compound Detail
CHEMBL5774306
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COc1cc(OC2CCOCC2)c2c(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2c1
Basic Information
| ChEMBL ID | CHEMBL5774306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSPXIMZWPUTTDR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
6.28
ALogP
9
HBA
2
HBD
120.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | Kd | 6.43 | 6.43 | 375.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase | Kd | = | 375.0 | nM | 6.43 | Competition Binding Assay: Competition binding assays used herein were developed... | - |
| Serine/threonine-protein kinase B-raf | Kd | = | 750.0 | nM | 6.12 | Competition Binding Assay: Competition binding assays used herein were developed... | - |
Data from ChEMBL 36 via Core Engine