Compound Detail
CHEMBL3940697
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Cn1cc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCCN5CCCC5(C)C)ccc4F)cnc3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL3940697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIBCJEHHQRRSRL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.73
ALogP
7
HBA
2
HBD
96.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL4125 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 0.19 | nM | 9.72 | Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in... | 27502700 |
| Platelet-derived growth factor receptor beta | IC50 | = | 1.7 | nM | 8.77 | 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 | 3 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | Rattus norvegicus | 2 |
| 27502700 | 10.1021/acs.jmedchem.6b00703 | No relevant target | 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