Compound Detail
CHEMBL3401367
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Basic Information
| ChEMBL ID | CHEMBL3401367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUKQIOXDNIJPDU-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
1.70
ALogP
7
HBA
3
HBD
122.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 5.2 | 5.2 | 6280.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.04 | 5.04 | 9130.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.98 | 4.975 | 10540.0 | 2 |
| A549 CHEMBL392 | IC50 | 4.92 | 4.92 | 11920.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.3 | 4.3 | 49980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 6280.0 | nM | 5.2 | Inhibition of FGFR2 (unknown origin) after 90 mins by TR-FRET assay | 25736993 |
| Fibroblast growth factor receptor 1 | IC50 | = | 9130.0 | nM | 5.04 | Inhibition of FGFR1 (unknown origin) after 90 mins by TR-FRET assay | 25736993 |
| NON-PROTEIN TARGET | IC50 | = | 10540.0 | nM | 4.98 | Cytotoxicity against human HeLa 229 cells after 72 hrs by MTT assay | 25736993 |
| NON-PROTEIN TARGET | IC50 | = | 10780.0 | nM | 4.97 | Cytotoxicity against mouse B16F10 cells after 72 hrs by MTT assay | 25736993 |
| A549 | IC50 | = | 11920.0 | nM | 4.92 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 25736993 |
| ADMET | IC50 | = | 49980.0 | nM | 4.3 | Cytotoxicity against human HL7702 cells after 72 hrs by MTT assay | 25736993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25736993 | 10.1016/j.bmcl.2015.02.010 | NON-PROTEIN TARGET | 2 |
| 25736993 | 10.1016/j.bmcl.2015.02.010 | Fibroblast growth factor receptor 4 | 1 |
| 25736993 | 10.1016/j.bmcl.2015.02.010 | Fibroblast growth factor receptor 3 | 1 |
| 25736993 | 10.1016/j.bmcl.2015.02.010 | Fibroblast growth factor receptor 2 | 1 |
| 25736993 | 10.1016/j.bmcl.2015.02.010 | Fibroblast growth factor receptor 1 | 1 |
| 25736993 | 10.1016/j.bmcl.2015.02.010 | A549 | 1 |
| 25736993 | 10.1016/j.bmcl.2015.02.010 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine