Compound Detail
CHEMBL5598005
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N#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(Nc2cccc(N3CC4(COC4)C3)c2)c2c(=O)[nH]ncc12
Basic Information
| ChEMBL ID | CHEMBL5598005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSJNWVXMPPCVCG-VQTJNVASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
2.45
ALogP
9
HBA
4
HBD
145.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Fer CHEMBL3982 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Fer | IC50 | = | 0.42 | nM | 9.38 | Inhibition of N-terminal His-tagged recombinant human FER using FL-Peptide22 as ... | 39015278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39015278 | 10.1021/acsmedchemlett.4c00030 | BaF3 | 2 |
| 39015278 | 10.1021/acsmedchemlett.4c00030 | Tyrosine-protein kinase Fer | 1 |
Data from ChEMBL 36 via Core Engine