Compound Detail
CHEMBL540969
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COC(=O)c1cc2c([nH]1)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3=CC2=O
Basic Information
| ChEMBL ID | CHEMBL540969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAUAFLDBZMJDIS-LZVRBXCZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.39
ALogP
5
HBA
1
HBD
88.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 33.0 | nM | 7.48 | Cytotoxicity against mouse L1210 cells | 19639994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19639994 | 10.1021/jm9006214 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine