Compound Detail
CHEMBL3394089
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Basic Information
| ChEMBL ID | CHEMBL3394089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMSOZEKXLIPXKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
6.72
ALogP
6
HBA
1
HBD
55.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 110.0 | nM | 6.96 | Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by... | 25469771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25469771 | 10.1021/jm5013159 | No relevant target | 2 |
| 25469771 | 10.1021/jm5013159 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 25469771 | 10.1021/jm5013159 | Tyrosine-protein kinase ABL1 | 1 |
| 25469771 | 10.1021/jm5013159 | NON-PROTEIN TARGET | 1 |
| 25469771 | 10.1021/jm5013159 | Liver microsome | 1 |
| 25923950 | 10.1021/acs.jmedchem.5b00140 | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine