Compound Detail
CHEMBL359418
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COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4c([nH]3)C(=O)C=C3N(C(=O)OC(C)(C)C)C[C@@H]5C[C@@]345)C[C@@H]3C[C@@]123
Basic Information
| ChEMBL ID | CHEMBL359418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPIVYUSLFWDIBQ-RVOAOWOESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
3.21
ALogP
7
HBA
2
HBD
141.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 0.05 | nM | 10.3 | In vitro cytotoxicity against L1210 cell line | 10743956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743956 | 10.1016/s0960-894x(00)00042-1 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine