Compound Detail
CHEMBL494795
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 | CHEMBL494795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMFBGZCBLOPVCJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.05
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.88 | 4.88 | 13120.0 | 1 |
| Coagulation factor XII CHEMBL2821 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 760.0 | nM | 6.12 | Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells assessed as... | 19267475 |
| Amine oxidase [flavin-containing] A | IC50 | = | 13120.0 | nM | 4.88 | Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells assessed as... | 19267475 |
| Coagulation factor XII | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of human factor 12a | 18459730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18459730 | 10.1021/jm8002697 | Prothrombin | 1 |
| 18459730 | 10.1021/jm8002697 | Coagulation factor X | 1 |
| 18459730 | 10.1021/jm8002697 | Coagulation factor VII/tissue factor | 1 |
| 18459730 | 10.1021/jm8002697 | Plasma kallikrein | 1 |
| 18459730 | 10.1021/jm8002697 | Coagulation factor XII | 1 |
| 19267475 | 10.1021/jm801496u | Amine oxidase [flavin-containing] A | 1 |
| 19267475 | 10.1021/jm801496u | Amine oxidase [flavin-containing] B | 1 |
| 19267475 | 10.1021/jm801496u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine