Compound Detail
CHEMBL4742889
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Basic Information
| ChEMBL ID | CHEMBL4742889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOHIKBITJWWHQQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
5.04
ALogP
8
HBA
2
HBD
94.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 4.18 | 4.18 | 66100.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 4.11 | 4.11 | 78400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of recombinant human His-tagged FGFR4 (781 to 1338 residues) cytoplas... | 33859803 |
| MDA-MB-435 | IC50 | = | 66100.0 | nM | 4.18 | Antiproliferative activity against human MDA-MB-453 cells assessed as inhibition... | 33859803 |
| NCI-H1299 | IC50 | = | 78400.0 | nM | 4.11 | Antiproliferative activity against human H1299 cells assessed as inhibition of c... | 33859803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33859803 | 10.1021/acsmedchemlett.1c00052 | Fibroblast growth factor receptor 4 | 2 |
| 33859803 | 10.1021/acsmedchemlett.1c00052 | Fibroblast growth factor receptor 1 | 1 |
| 33859803 | 10.1021/acsmedchemlett.1c00052 | Fibroblast growth factor receptor 2 | 1 |
| 33859803 | 10.1021/acsmedchemlett.1c00052 | Fibroblast growth factor receptor 3 | 1 |
| 33859803 | 10.1021/acsmedchemlett.1c00052 | Hep 3B2 | 1 |
| 33859803 | 10.1021/acsmedchemlett.1c00052 | MDA-MB-435 | 1 |
| 33859803 | 10.1021/acsmedchemlett.1c00052 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine