Compound Detail
CHEMBL101290
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COC(=O)CCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N
Basic Information
| ChEMBL ID | CHEMBL101290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODDCESZVGLRPTM-WUSPCOQVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
813.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Nucleic Acid CHEMBL345 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 1000.0 | nM | 6.0 | In vitro effect on human leukemia K562 cell proliferation | 9873668 |
| Nucleic Acid | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human estrogen receptor(ER) polymerase-chain reaction product | 9873668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873668 | 10.1016/s0960-894x(98)00544-7 | K562 | 1 |
| 9873668 | 10.1016/s0960-894x(98)00544-7 | Nucleic Acid | 1 |
| 9873668 | 10.1016/s0960-894x(98)00544-7 | GTPase HRas | 1 |
Data from ChEMBL 36 via Core Engine