Compound Detail
CHEMBL1643987
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C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3C(F)(F)F)ncc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL1643987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJAFEGHEWRKAGM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.0
MW (Da)
5.56
ALogP
7
HBA
2
HBD
82.6
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-9 CHEMBL614102 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-9 | EC50 | = | 90.0 | nM | 7.05 | Antiproliferative activity against growth-resistant human PC9 cells expressing E... | 21208802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21208802 | 10.1016/j.bmcl.2010.12.036 | PC-9 | 2 |
Data from ChEMBL 36 via Core Engine