Compound Detail
CHEMBL3827818
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CC(Oc1ccc2[nH]nc(-c3nc4cc(N5CCOCC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl
Basic Information
| ChEMBL ID | CHEMBL3827818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPPKLMYVHZCXOC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.4
MW (Da)
5.78
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| NCI-H1581 CHEMBL1075516 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of recombinant human FGFR1 using poly (Glu, Tyr) 4:1 as substrate aft... | 27348537 |
| NCI-H1581 | IC50 | = | 2.2 | nM | 8.66 | Antiproliferative activity against FGFR1-amplified human NCI-H1581 cells after 7... | 27348537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27348537 | 10.1021/acs.jmedchem.6b00056 | Fibroblast growth factor receptor 1 | 1 |
| 27348537 | 10.1021/acs.jmedchem.6b00056 | NCI-H1581 | 1 |
Data from ChEMBL 36 via Core Engine