Compound Detail
CHEMBL3827725
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COCCNc1ccc2[nH]c(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)nc2c1
Basic Information
| ChEMBL ID | CHEMBL3827725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFSYNGCPGHEZNB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.4
MW (Da)
6.01
ALogP
6
HBA
3
HBD
100.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| NCI-H1581 CHEMBL1075516 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of recombinant human FGFR1 using poly (Glu, Tyr) 4:1 as substrate aft... | 27348537 |
| NCI-H1581 | IC50 | = | 1.2 | nM | 8.92 | 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