Compound Detail
CHEMBL3747108
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CCc1cc2c(cc1-c1cnn(C(=O)N(C)C)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
Basic Information
| ChEMBL ID | CHEMBL3747108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXUVMEINVSOBBC-UHFFFAOYSA-N |
5
Targets
12
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
4.87
ALogP
5
HBA
1
HBD
94.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SRSF protein kinase 1 CHEMBL4375 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| SRSF protein kinase 2 CHEMBL5668 | IC50 | 7.63 | 7.63 | 23.6 | 1 |
| EML4-ALK CHEMBL3883330 | IC50 | 7.6 | 6.945 | 25.0 | 8 |
| Unchecked CHEMBL612545 | IC50 | 6.2 | 6.2 | 628.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.78 | 5.78 | 1647.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26568289 | 10.1021/acs.jmedchem.5b01136 | EML4-ALK | 10 |
| 26568289 | 10.1021/acs.jmedchem.5b01136 | ADMET | 2 |
| 26568289 | 10.1021/acs.jmedchem.5b01136 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine