Compound Detail
CHEMBL610125
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Basic Information
| ChEMBL ID | CHEMBL610125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQFMFVMXUGTLFQ-FWRROQEFSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
281.2
MW (Da)
-0.49
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 1300.0 | nM | 5.89 | Tested for kinetic constant for the inhibition of recombinant human placental S-... | 7932585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932585 | 10.1021/jm00047a015 | Adenosylhomocysteinase | 7 |
| 7932585 | 10.1021/jm00047a015 | E6SM | 5 |
| 7932585 | 10.1021/jm00047a015 | HeLa | 4 |
| 7932585 | 10.1021/jm00047a015 | Vero | 4 |
| 7932585 | 10.1021/jm00047a015 | L1210 | 1 |
| 7932585 | 10.1021/jm00047a015 | FM3A | 1 |
| 7932585 | 10.1021/jm00047a015 | MOLT-4 | 1 |
| 7932585 | 10.1021/jm00047a015 | CCRF-CEM | 1 |
| 7932585 | 10.1021/jm00047a015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine