Compound Detail
CHEMBL4642181
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL4642181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFHGFIPSLLZCLF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
6.96
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 6.48 | 6.48 | 334.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.23 | 6.23 | 592.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.61 | 5.61 | 2480.0 | 1 |
| PCSK9/LDLR CHEMBL4523996 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 334.0 | nM | 6.48 | Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) e... | 32051094 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 592.0 | nM | 6.23 | Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues... | 32051094 |
| Platelet-derived growth factor receptor beta | IC50 | = | 2480.0 | nM | 5.61 | Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic doma... | 32051094 |
| PCSK9/LDLR | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of recombinant human His-tagged PCSK9 interaction with recombinant LD... | 32051094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32051094 | 10.1016/j.bmc.2020.115344 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | Platelet-derived growth factor receptor beta | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | Tyrosine-protein kinase ABL1 | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | Mast/stem cell growth factor receptor Kit | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | PCSK9/LDLR | 1 |
Data from ChEMBL 36 via Core Engine