Compound Detail
CHEMBL3963148
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C=CC(=O)Nc1cc(OCCN(C)C)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
Basic Information
| ChEMBL ID | CHEMBL3963148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRFKZEMSUGMZFO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
604.5
MW (Da)
5.28
ALogP
9
HBA
3
HBD
130.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.5 | 5.5 | 3200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 3200.0 | nM | 5.5 | Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 3200.0 | nM | 5.5 | Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 3200.0 | nM | 5.5 | Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... | - |
Data from ChEMBL 36 via Core Engine