Compound Detail
CHEMBL299135
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Basic Information
| ChEMBL ID | CHEMBL299135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHUOJWOHGMYMJL-VDAHYXPESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
-0.37
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2389 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Adenosylhomocysteinase CHEMBL2664 | Ki | 5.04 | 5.04 | 9150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 150.0 | nM | 6.82 | Inhibitory effect against L929 Cell S-adenosyl-L-homocysteine hydrolase | 1732550 |
| Adenosylhomocysteinase | Ki | = | 9150.0 | nM | 5.04 | Inhibitory activity against bovine liver S-adenosyl-L-homocysteine hydrolase (Ad... | 1588558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732550 | 10.1021/jm00080a018 | Vero | 11 |
| 1732550 | 10.1021/jm00080a018 | HEL | 6 |
| 1732550 | 10.1021/jm00080a018 | HeLa | 6 |
| 1732550 | 10.1021/jm00080a018 | PRK | 4 |
| 1732550 | 10.1021/jm00080a018 | MDCK | 3 |
| 1732550 | 10.1021/jm00080a018 | MT4 | 3 |
| 1588558 | 10.1021/jm00088a013 | Adenosylhomocysteinase | 2 |
| 1732550 | 10.1021/jm00080a018 | Adenosine deaminase | 2 |
| 1732550 | 10.1021/jm00080a018 | Adenosylhomocysteinase | 2 |
| 1732550 | 10.1021/jm00080a018 | ADMET | 2 |
| 1588558 | 10.1021/jm00088a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine