Compound Detail
CHEMBL3975580
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
Cn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NCC4CCC(C)(C)O4)ccc3F)cnc2c1
Basic Information
| ChEMBL ID | CHEMBL3975580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBHJIDPAHROURF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
3.81
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL4125 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 0.53 | nM | 9.28 | Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in... | 27502700 |
| Platelet-derived growth factor receptor beta | IC50 | = | 2.7 | nM | 8.57 | Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in p... | 27502700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27502700 | 10.1021/acs.jmedchem.6b00703 | ADMET | 1 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Platelet-derived growth factor receptor beta | 1 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine