Compound Detail
CHEMBL601269
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 | CHEMBL601269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INFGLUYMRONKHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.54
ALogP
4
HBA
3
HBD
64.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 6.11 | 6.11 | 780.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 780.0 | nM | 6.11 | Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt meth... | 19945874 |
| Amine oxidase [flavin-containing] A | Ki | = | 3700.0 | nM | 5.43 | Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt meth... | 19945874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34981940 | 10.1021/acs.jmedchem.1c01349 | Mycolicibacterium smegmatis | 3 |
| 34981940 | 10.1021/acs.jmedchem.1c01349 | Mycobacterium tuberculosis | 3 |
| 19945874 | 10.1016/j.bmcl.2009.11.015 | Amine oxidase [flavin-containing] A | 1 |
| 19945874 | 10.1016/j.bmcl.2009.11.015 | Amine oxidase [flavin-containing] B | 1 |
| 19945874 | 10.1016/j.bmcl.2009.11.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine