Compound Detail
CHEMBL411952
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C=CCn1c(CC=C(C)C)c(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccc(OC)cc21
Basic Information
| ChEMBL ID | CHEMBL411952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAMZRDQGVWGSLZ-UNMCSNQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.38
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 75000.0 | nM | 4.12 | Antiproliferative activity against mouse tsFT210 cells after 48 hrs by WST-8 ass... | 18321710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321710 | 10.1016/j.bmc.2008.02.050 | NON-PROTEIN TARGET | 1 |
| 18321710 | 10.1016/j.bmc.2008.02.050 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine