Compound Detail
CHEMBL3651291
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Cc1cc(-c2c(F)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12
Basic Information
| ChEMBL ID | CHEMBL3651291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUVNTCMRLVOTEJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
4.99
ALogP
8
HBA
2
HBD
108.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.42 | 8.42 | 3.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3.8 | nM | 8.42 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3.8 | nM | 8.42 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
Data from ChEMBL 36 via Core Engine