Compound Detail
CHEMBL508383
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CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL508383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPBQAQZMUWCVPR-MOKQCNEGSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1130.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.6 | 6.23 | 25.0 | 3 |
| NCI-H838 CHEMBL1075547 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human NPC-TW01 cells after 72 hrs by MTT assay | 19053781 |
| NON-PROTEIN TARGET | IC50 | = | 82.0 | nM | 7.09 | Cytotoxicity against human MES-SA cells after 72 hrs by MTT assay | 19053781 |
| NCI-H838 | IC50 | = | 82.0 | nM | 7.09 | Cytotoxicity against human NCI-H838 cells after 72 hrs by MTT assay | 19053781 |
| HCT-116 | IC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay | 19053781 |
| NON-PROTEIN TARGET | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against human Hep3B cells after 72 hrs by MTT assay | 19053781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053781 | 10.1021/jm8006257 | NON-PROTEIN TARGET | 3 |
| 19053781 | 10.1021/jm8006257 | HUVEC | 2 |
| 19053781 | 10.1021/jm8006257 | Unchecked | 2 |
| 19053781 | 10.1021/jm8006257 | ADMET | 1 |
| 19053781 | 10.1021/jm8006257 | MKN-45 | 1 |
| 19053781 | 10.1021/jm8006257 | HCT-116 | 1 |
| 19053781 | 10.1021/jm8006257 | A498 | 1 |
| 19053781 | 10.1021/jm8006257 | NCI-H838 | 1 |
| 19053781 | 10.1021/jm8006257 | CHO-K1 | 1 |
| 19053781 | 10.1021/jm8006257 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine