Compound Detail
CHEMBL1079113
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Cc1ccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cn1
Basic Information
| ChEMBL ID | CHEMBL1079113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFMXVBAHMGWYAZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.90
ALogP
7
HBA
2
HBD
86.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Bcr/Abl fusion protein CHEMBL2096618 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 43.0 | nM | 7.37 | Inhibition of KIT | 20166671 |
| Bcr/Abl fusion protein | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of wild type Bcr-Abl | 20166671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20166671 | 10.1021/jm901132v | Mast/stem cell growth factor receptor Kit | 1 |
| 20166671 | 10.1021/jm901132v | Bcr/Abl fusion protein | 1 |
Data from ChEMBL 36 via Core Engine