Compound Detail
CHEMBL3314676
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Basic Information
| ChEMBL ID | CHEMBL3314676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCWPQHLVPFODON-BGPOSVGRSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.60
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.8 | 6.74 | 160.0 | 2 |
| SGC-7901 CHEMBL614909 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 160.0 | nM | 6.8 | Cytotoxicity against human NB4 cells assessed as reduction in cell viability aft... | 24960549 |
| NON-PROTEIN TARGET | IC50 | = | 210.0 | nM | 6.68 | Cytotoxicity against human NB4-R1 cells assessed as reduction in cell viability ... | 24960549 |
| SGC-7901 | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human SGC-7901 cells assessed as inhibition o... | 31761386 |
| MGC-803 | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against human MGC-803 cells assessed as inhibition of... | 31761386 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of IKKbeta (unknown origin) using FAM-P22 as substrate preincubated f... | 29351887 |
| Fibroblast growth factor receptor 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of FGFR1 (unknown origin) using FAM-P22 as substrate incubated for 1 ... | 31761386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24960549 | 10.1021/jm401352a | NON-PROTEIN TARGET | 2 |
| 29351887 | 10.1016/j.ejmech.2017.11.077 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 31761386 | 10.1016/j.ejmech.2019.111884 | Fibroblast growth factor receptor 1 | 1 |
| 31761386 | 10.1016/j.ejmech.2019.111884 | SGC-7901 | 1 |
| 31761386 | 10.1016/j.ejmech.2019.111884 | MGC-803 | 1 |
Data from ChEMBL 36 via Core Engine