Compound Detail
CHEMBL4443370
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C[C@@H]1CN(c2ccc3nc(-c4c(N[C@@H](C)c5ncccn5)c5nn(C)cc5[nH]c4=O)[nH]c3c2)C[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL4443370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLWOTLDNVFBPKX-XHSDSOJGSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
3.38
ALogP
9
HBA
3
HBD
129.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 9.43 | 8.7125 | 0.4 | 4 |
| NIH3T3 CHEMBL614822 | IC50 | 5.74 | 5.74 | 1831.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 0.3731 | nM | 9.43 | Inhibition of human FGFR3 wild-type using FL-peptide substrate measured after 50... | 31620219 |
| Fibroblast growth factor receptor 3 | IC50 | = | 0.4081 | nM | 9.39 | Inhibition of human FGFR3 V555M mutant using FL-peptide substrate measured after... | 31620219 |
| Fibroblast growth factor receptor 3 | IC50 | = | 8.387 | nM | 8.08 | Inhibition of FGFR3 V555M mutant (unknown origin) expressed in mouse NIH/3T3 cel... | 31620219 |
| Fibroblast growth factor receptor 3 | IC50 | = | 11.14 | nM | 7.95 | Inhibition of wild-type FGFR3 (unknown origin) expressed in mouse NIH/3T3 cells ... | 31620219 |
| NIH3T3 | IC50 | = | 1831.35 | nM | 5.74 | 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