Compound Detail
CHEMBL402419
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CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL402419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKLMPQGUJVSLHD-NYNBUFQQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
3.62
ALogP
8
HBA
1
HBD
103.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 1.8 | nM | 8.74 | Antiproliferative activity against human H460 cells after 2 hrs of drug exposure... | 18424133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18424133 | 10.1016/j.bmcl.2008.03.074 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine