Compound Detail
CHEMBL3651220
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CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12
Basic Information
| ChEMBL ID | CHEMBL3651220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGYCQGOAGCBPEB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
4.38
ALogP
8
HBA
3
HBD
129.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.52 | 7.52 | 29.9 | 2 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.73 | 5.73 | 1850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 29.9 | nM | 7.52 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 29.9 | nM | 7.52 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 1850.0 | nM | 5.73 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 1850.0 | nM | 5.73 | Inhibition of human recombinant Yes using PTK2 peptide substrate incubated for 6... | - |
Data from ChEMBL 36 via Core Engine