Compound Detail
CHEMBL3953646
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CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)c(NC(=O)/C=C\Cl)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3953646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSFKXYAPIHVOEV-HJWRWDBZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
664.0
MW (Da)
6.05
ALogP
9
HBA
3
HBD
124.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.65 | 6.65 | 224.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 224.0 | nM | 6.65 | Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 224.0 | nM | 6.65 | Kinase HotSpots Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), o... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 224.0 | nM | 6.65 | Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 224.0 | nM | 6.65 | Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... | - |
Data from ChEMBL 36 via Core Engine