Compound Detail
CHEMBL4075321
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Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc(N)nn1
Basic Information
| ChEMBL ID | CHEMBL4075321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBQLUWFEXQUNQE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
3.79
ALogP
6
HBA
2
HBD
87.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.24 | 6.9 | 5.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 5.8 | nM | 8.24 | Inhibition of wild type KIT (unknown origin) using biotinylated poly-Glu-Tyr as ... | 28991465 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 150.2 | nM | 6.82 | Inhibition of KIT V559D/T670I double mutant (unknown origin) using biotinylated ... | 28991465 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 2267.8 | nM | 5.64 | Inhibition of KIT D816H mutant (unknown origin) using biotinylated poly-Glu-Tyr ... | 28991465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28991465 | 10.1021/acs.jmedchem.7b00841 | Mast/stem cell growth factor receptor Kit | 11 |
| 28991465 | 10.1021/acs.jmedchem.7b00841 | GISTT1 | 3 |
| 28991465 | 10.1021/acs.jmedchem.7b00841 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine