Compound Detail
CHEMBL4562845
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COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4562845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBMWCFYMBVLYGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
540.5
MW (Da)
5.56
ALogP
6
HBA
2
HBD
82.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| NCI-H1581 CHEMBL1075516 | IC50 | 6.49 | 6.49 | 324.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of recombinant human FGFR1 using poly (Glu,Tyr)4:1 as substrate incub... | 27326339 |
| NCI-H1581 | IC50 | = | 324.3 | nM | 6.49 | Antiproliferative activity against human NCI-H1581 cells after 72 hrs by CCK-8 a... | 27326339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27326339 | 10.1021/acsmedchemlett.6b00066 | Fibroblast growth factor receptor 1 | 1 |
| 27326339 | 10.1021/acsmedchemlett.6b00066 | Vascular endothelial growth factor receptor 2 | 1 |
| 27326339 | 10.1021/acsmedchemlett.6b00066 | NCI-H1581 | 1 |
Data from ChEMBL 36 via Core Engine