Compound Detail
CHEMBL1288616
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Basic Information
| ChEMBL ID | CHEMBL1288616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQUIYLVBEAXSHI-KQYNXXCUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
-1.51
ALogP
10
HBA
4
HBD
151.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 6.17 | 6.17 | 670.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 670.0 | nM | 6.17 | concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was dete... | 9171871 |
| Trichomonas vaginalis | IC50 | = | 40000.0 | nM | 4.4 | Antitrypanosomal activity against Trichomonas vaginalis T1 | 21044841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171871 | 10.1021/jm960828p | Vero | 7 |
| 21044841 | 10.1016/j.bmcl.2010.10.014 | Trichomonas vaginalis | 3 |
| 9171871 | 10.1021/jm960828p | Human alphaherpesvirus 1 | 3 |
| 9171871 | 10.1021/jm960828p | HeLa | 3 |
| 9171871 | 10.1021/jm960828p | MDCK | 3 |
| 9171871 | 10.1021/jm960828p | Adenosylhomocysteinase | 2 |
| 9171871 | 10.1021/jm960828p | Human betaherpesvirus 5 | 2 |
| 9171871 | 10.1021/jm960828p | E6SM | 1 |
| 9171871 | 10.1021/jm960828p | Unchecked | 1 |
| 9171871 | 10.1021/jm960828p | Respiratory syncytial virus | 1 |
| 9171871 | 10.1021/jm960828p | HEL | 1 |
| 9171871 | 10.1021/jm960828p | L1210 | 1 |
| 9171871 | 10.1021/jm960828p | Vaccinia virus | 1 |
| 9171871 | 10.1021/jm960828p | Human alphaherpesvirus 2 | 1 |
| 9171871 | 10.1021/jm960828p | CCRF-CEM | 1 |
| 9171871 | 10.1021/jm960828p | MOLT-4 | 1 |
| 9171871 | 10.1021/jm960828p | FM3A | 1 |
Data from ChEMBL 36 via Core Engine