Compound Detail
CHEMBL6031237
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COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCCN1CCN(CCO)CC1
Basic Information
| ChEMBL ID | CHEMBL6031237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEPIATATVDHQQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
619.7
MW (Da)
4.74
ALogP
11
HBA
3
HBD
147.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 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 |
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... | - |
Data from ChEMBL 36 via Core Engine