Compound Detail
CHEMBL606053
ASIMICIN 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
CCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCC[C@H](O)CC3=C[C@@H](C)OC3=O)O2)O1
Basic Information
| ChEMBL ID | CHEMBL606053 |
| Name | ASIMICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVZIPERWMPDEIZ-PZHNDOPMSA-N |
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
594.9
MW (Da)
7.08
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.29
Ki 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 9.29 | 8.675 | 0.5 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.44 | 8.2 | 3.6 | 2 |
| SGC-7901 CHEMBL614909 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| HeLa CHEMBL399 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.92 | 4.92 | 12170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 0.51 | nM | 9.29 | Cytotoxicity against human HCT116 cells | 18975929 |
| NON-PROTEIN TARGET | IC50 | = | 3.6 | nM | 8.44 | Cytotoxicity against human A-5408 cells after 72 hrs by MTT assay | 19285863 |
| SGC-7901 | IC50 | = | 4.3 | nM | 8.37 | Cytotoxicity against human SGC7901 cells after 72 hrs by MTT assay | 19285863 |
| HCT-116 | IC50 | = | 8.8 | nM | 8.06 | Cytotoxicity against HCT116 cells | 17329102 |
| NON-PROTEIN TARGET | IC50 | = | 11.0 | nM | 7.96 | Cytotoxicity against human SMMC-7541 cells after 72 hrs by MTT assay | 19285863 |
| MCF7 | IC50 | = | 13.0 | nM | 7.89 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 19285863 |
| HeLa | IC50 | = | 27.0 | nM | 7.57 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 19285863 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of bovine heart mitochondrial complex1 activity | 18975929 |
| Unchecked | Ki | = | 12170.0 | nM | 4.92 | Inhibition of Streptococcus pneumoniae recombinant HMGR class II expressed in Es... | 21550257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18975929 | 10.1021/jm801028c | HCT-116 | 20 |
| 10096871 | 10.1021/np980406d | Blattella germanica | 6 |
| 2199608 | 10.1021/np50068a001 | Calliphora vicina | 5 |
| 18975929 | 10.1021/jm801028c | NON-PROTEIN TARGET | 5 |
| 18975929 | 10.1021/jm801028c | L1210 | 4 |
| - | 10.1584/jpestics.16.93 | Callosobruchus chinensis | 4 |
| 2199608 | 10.1021/np50068a001 | Caenorhabditis elegans | 4 |
| 2199608 | 10.1021/np50068a001 | Aedes aegypti | 4 |
| 18975929 | 10.1021/jm801028c | MC-38 | 4 |
| 2199608 | 10.1021/np50068a001 | Aphis gossypii | 4 |
| 2199608 | 10.1021/np50068a001 | Epilachna varivestis | 4 |
| 2199608 | 10.1021/np50068a001 | Plasmodium falciparum | 4 |
| 2199608 | 10.1021/np50068a001 | Acalymma vittatum | 4 |
| 1593281 | 10.1021/np50081a011 | NON-PROTEIN TARGET | 3 |
| 2199608 | 10.1021/np50068a001 | NON-PROTEIN TARGET | 3 |
| 9207950 | 10.1021/jm9700169 | ADMET | 2 |
| 18598079 | 10.1021/np800191t | P388 | 2 |
| 1593281 | 10.1021/np50081a011 | A549 | 2 |
| 1593281 | 10.1021/np50081a011 | HT-29 | 2 |
| 19285863 | 10.1016/j.bmcl.2009.02.105 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine