Compound Detail
CHEMBL4642409
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Basic Information
| ChEMBL ID | CHEMBL4642409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATYKMHIJRBRZOA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.99
ALogP
8
HBA
1
HBD
87.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET CHEMBL3430888 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| LC-2-ad CHEMBL2366260 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| TEL/KDR CHEMBL4630759 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | IC50 | = | 70.0 | nM | 7.16 | Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assess... | 32292564 |
| LC-2-ad | IC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against human LC2/ad cells assessed as reduction in cell viability ... | 32292564 |
| TEL/KDR | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed... | 32292564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292564 | 10.1021/acsmedchemlett.0c00015 | Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | TEL/KDR | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | LC-2-ad | 1 |
| 32292564 | 10.1021/acsmedchemlett.0c00015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine