Compound Detail
CHEMBL4568760
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CC[C@H](Nc1c(-c2nc3cc(C)c(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
Basic Information
| ChEMBL ID | CHEMBL4568760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXUOMYZODFGYOS-INIZCTEOSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
3.30
ALogP
9
HBA
3
HBD
129.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 9.58 | 8.5525 | 0.3 | 4 |
| NIH3T3 CHEMBL614822 | IC50 | 5.87 | 5.87 | 1350.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 0.2645 | nM | 9.58 | Inhibition of human FGFR3 V555M mutant using FL-peptide substrate measured after... | 31620219 |
| Fibroblast growth factor receptor 3 | IC50 | = | 0.9714 | nM | 9.01 | Inhibition of human FGFR3 wild-type using FL-peptide substrate measured after 50... | 31620219 |
| Fibroblast growth factor receptor 3 | IC50 | = | 13.87 | nM | 7.86 | Inhibition of FGFR3 V555M mutant (unknown origin) expressed in mouse NIH/3T3 cel... | 31620219 |
| Fibroblast growth factor receptor 3 | IC50 | = | 17.41 | nM | 7.76 | Inhibition of wild-type FGFR3 (unknown origin) expressed in mouse NIH/3T3 cells ... | 31620219 |
| NIH3T3 | IC50 | = | 1350.65 | nM | 5.87 | Cytotoxicity against mouse NIH/3T3 cells measured after 72 hrs by celltiter-glo ... | 31620219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31620219 | 10.1021/acsmedchemlett.9b00427 | Fibroblast growth factor receptor 3 | 4 |
| 31620219 | 10.1021/acsmedchemlett.9b00427 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine