Compound Detail
CHEMBL261619
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Basic Information
| ChEMBL ID | CHEMBL261619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLJQBJBJBIATTP-APOSLCTFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
-1.73
ALogP
9
HBA
5
HBD
156.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL6076 | IC50 | 5.35 | 5.35 | 4510.0 | 1 |
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 4.04 | 4.04 | 90700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 4510.0 | nM | 5.35 | Inhibition of Plasmodium falciparum SAHH | 18295495 |
| Adenosylhomocysteinase | IC50 | = | 90700.0 | nM | 4.04 | Inhibition of human SAHH | 18295495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18295495 | 10.1016/j.bmc.2008.01.046 | Adenosylhomocysteinase | 2 |
| 18295495 | 10.1016/j.bmc.2008.01.046 | Unchecked | 1 |
| 18295495 | 10.1016/j.bmc.2008.01.046 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine