Compound Detail
CHEMBL1987104
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COc1cccc(C(=O)Nc2cccc(-c3nc4sccn4c3-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL1987104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSTYJPKRWKKHLB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
603.7
MW (Da)
6.36
ALogP
10
HBA
2
HBD
105.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Cyclin-dependent kinase 19 CHEMBL6002 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | Ki | = | 630.96 | nM | 6.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 19 | Ki | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine