Compound Detail
CHEMBL327105
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 | CHEMBL327105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDKUWLLYHVOVCD-PXMQNUKVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
-1.01
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2389 | Ki | 7.07 | 7.07 | 86.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Adenosylhomocysteinase CHEMBL6076 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| KATO III stomach cancer cell line CHEMBL612700 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 86.0 | nM | 7.07 | Inhibitory effect against L929 Cell S-adenosyl-L-homocysteine hydrolase | 1732550 |
| Plasmodium falciparum | IC50 | = | 100.0 | nM | 7.0 | In vivo antimalarial activity against Plasmodium falciparum | 11806727 |
| Adenosylhomocysteinase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Plasmodium falciparum AdoHcy | 30109012 |
| KATO III stomach cancer cell line | IC50 | = | 1100.0 | nM | 5.96 | The compound was tested for cytotoxicity against the growth of human gastric car... | 11806727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732550 | 10.1021/jm00080a018 | Vero | 11 |
| 1732550 | 10.1021/jm00080a018 | ESM | 8 |
| 11806727 | 10.1021/jm010374i | Plasmodium berghei | 7 |
| 11806727 | 10.1021/jm010374i | NON-PROTEIN TARGET | 7 |
| 1732550 | 10.1021/jm00080a018 | HEL | 7 |
| 1732550 | 10.1021/jm00080a018 | HeLa | 5 |
| 1732550 | 10.1021/jm00080a018 | PRK | 4 |
| - | 10.1016/S0960-894X(01)80163-3 | Vero | 3 |
| 1732550 | 10.1021/jm00080a018 | MDCK | 3 |
| 1732550 | 10.1021/jm00080a018 | MT4 | 3 |
| 1732550 | 10.1021/jm00080a018 | Adenosine deaminase | 2 |
| 1732550 | 10.1021/jm00080a018 | Adenosylhomocysteinase | 2 |
| 1732550 | 10.1021/jm00080a018 | ADMET | 2 |
| 30109012 | 10.1039/C8MD00098K | Adenosylhomocysteinase | 1 |
| 11806727 | 10.1021/jm010374i | Plasmodium falciparum | 1 |
| - | 10.1016/S0960-894X(01)80163-3 | NON-PROTEIN TARGET | 1 |
| 11806727 | 10.1021/jm010374i | Unchecked | 1 |
| 11806727 | 10.1021/jm010374i | Vero | 1 |
| 11806727 | 10.1021/jm010374i | KATO III stomach cancer cell line | 1 |
Data from ChEMBL 36 via Core Engine