Compound Detail
CHEMBL75188
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Cc1cc(C)c(C)c(-c2cc3cnc(NCCCN4CCN(C)CC4)nc3nc2NC(=O)NC(C)(C)C)c1C
Basic Information
| ChEMBL ID | CHEMBL75188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTUXOBJKZJZVKD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.89
ALogP
7
HBA
3
HBD
98.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Platelet-derived growth factor receptor (PDGFr) CHEMBL2111344 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Fibroblast growth factor receptor (FGFr) tyrosine kinase | 9240345 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of C-src tyrosine kinase | 9240345 |
| Platelet-derived growth factor receptor (PDGFr) | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of platelet derived growth factor (PDGF) stimulated PDGF-receptor aut... | 9240345 |
| Epidermal growth factor receptor | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase | 9240345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9240345 | 10.1021/jm970367n | Platelet-derived growth factor receptor (PDGFr) | 2 |
| 9240345 | 10.1021/jm970367n | Fibroblast growth factor receptor | 1 |
| 9240345 | 10.1021/jm970367n | Epidermal growth factor receptor | 1 |
| 9240345 | 10.1021/jm970367n | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 9240345 | 10.1021/jm970367n | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine