Compound Detail
CHEMBL21396
SKIMMIANINE 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
Basic Information
| ChEMBL ID | CHEMBL21396 |
| Name | SKIMMIANINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLSIBLKBHNKZTB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
3.01
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.88 | 4.63 | 13240.0 | 3 |
| Neutrophil CHEMBL613710 | IC50 | 4.45 | 4.45 | 35500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.32 | 4.275 | 47500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 13240.0 | nM | 4.88 | Antiinflammatory activity in human neutrophils assessed as inhibition of formyl-... | 18211005 |
| NON-PROTEIN TARGET | IC50 | = | 19150.0 | nM | 4.72 | Antiinflammatory activity in human neutrophils assessed as inhibition of formyl-... | 18211005 |
| Neutrophil | IC50 | = | 35500.0 | nM | 4.45 | Immunomodulatory activity in polymorphoneutrophils assessed as inhibition of lum... | 18950230 |
| Plasmodium falciparum | IC50 | = | 47500.0 | nM | 4.32 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum HB3 ... | 12141852 |
| NON-PROTEIN TARGET | IC50 | = | 51300.0 | nM | 4.29 | Immunomodulatory activity in whole blood assessed as inhibition of luminol-induc... | 18950230 |
| Plasmodium falciparum | IC50 | = | 59000.0 | nM | 4.23 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 a... | 12141852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19886679 | 10.1021/jf9012983 | Sitophilus zeamais | 31 |
| 19886679 | 10.1021/jf9012983 | Tribolium castaneum | 31 |
| 6195312 | 10.1021/np50028a027 | CHO | 9 |
| - | 10.1007/s00044-011-9581-9 | Acetylcholinesterase | 3 |
| 18950230 | 10.1021/np800276f | Neutrophil | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 18211005 | 10.1021/np070594k | NON-PROTEIN TARGET | 2 |
| 12141852 | 10.1021/np0106182 | Plasmodium falciparum | 2 |
| 11312924 | 10.1021/jm001007u | N1E-115 | 2 |
| 12713408 | 10.1021/np020578h | A2780 | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 18950230 | 10.1021/np800276f | A549 | 1 |
| 18950230 | 10.1021/np800276f | NON-PROTEIN TARGET | 1 |
| - | 10.1021/np50099a013 | Trypanosoma cruzi | 1 |
| - | 10.1021/np50099a013 | Leishmania braziliensis | 1 |
| 10924184 | 10.1021/np000012y | Candida albicans | 1 |
| 10924184 | 10.1021/np000012y | Staphylococcus aureus | 1 |
| 10924184 | 10.1021/np000012y | Bacillus subtilis | 1 |
| 10924184 | 10.1021/np000012y | Mycolicibacterium smegmatis | 1 |
Data from ChEMBL 36 via Core Engine