Compound Detail
CHEMBL5561211
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@@]1(OC(=O)CCC(=O)NCCOCCOCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(N)=O)C(c2ccccc2)c2ccccc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
Basic Information
| ChEMBL ID | CHEMBL5561211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGKLLVHJICGNKF-QNFZNJDBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2309.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A20 CHEMBL613850 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A20 | IC50 | = | 11800.0 | nM | 4.93 | Cytostatic activity against mouse A20 cells after 24 hrs by CCK-8 assay | 38278140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38278140 | 10.1021/acs.jmedchem.3c02232 | ADMET | 5 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | A20 | 1 |
Data from ChEMBL 36 via Core Engine