Compound Detail
CHEMBL5094922
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CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)nn1-c1ccc(-c2ccc(OC)cc2OC)cc1
Basic Information
| ChEMBL ID | CHEMBL5094922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUCYLVLNPXPQBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
7.07
ALogP
7
HBA
0
HBD
61.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUM149PT CHEMBL4296497 | IC50 | 6.31 | 6.31 | 487.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUM149PT | IC50 | = | 487.0 | nM | 6.31 | Cytotoxicity against human triple negative SUM149PT cells assessed as cell viabi... | 34763082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34763082 | 10.1016/j.bmcl.2021.128444 | SUM149PT | 1 |
Data from ChEMBL 36 via Core Engine