Compound Detail
CHEMBL5814168
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CCNc1nc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)ccc2C)cc(N2CCOCC2)n1
Basic Information
| ChEMBL ID | CHEMBL5814168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXXKRWMIVAYMPU-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
3.92
ALogP
8
HBA
2
HBD
116.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 10.0 | 10.0 | 0.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 10.0 | 9.65 | 0.1 | 2 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 9.3 | 9.3 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.1 | nM | 10.0 | Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f... | - |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 0.1 | nM | 10.0 | In Vitro Raf Activity: Raf and biotinylated Mek, kinase dead, were combined at 2... | - |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 0.1 | nM | 10.0 | In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.5 | nM | 9.3 | Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.5 | nM | 9.3 | In Vitro Raf Activity: Raf and biotinylated Mek, kinase dead, were combined at 2... | - |
| Unchecked | IC50 | = | 0.5 | nM | 9.3 | In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ... | - |
Data from ChEMBL 36 via Core Engine