Compound Detail
CHEMBL140440
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 | CHEMBL140440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBXUKPOCALYIGN-RJNFYWFKSA-N |
1
Targets
3
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
-0.61
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
Ki 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3167 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 45000.0 | nM | 4.35 | Inhibition of purified recombinant human placental S-adenosyl-homocysteine hydro... | 11495586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495586 | 10.1021/jm0108350 | Vero | 9 |
| 11495586 | 10.1021/jm0108350 | HEL | 7 |
| 11495586 | 10.1021/jm0108350 | E6SM | 6 |
| 11495586 | 10.1021/jm0108350 | Adenosylhomocysteinase | 4 |
| 11495586 | 10.1021/jm0108350 | HeLa | 4 |
| 11495586 | 10.1021/jm0108350 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine