Compound Detail
CHEMBL127717
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 | CHEMBL127717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNWYNMNNUMFSGM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
2.84
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 570.0 | nM | 6.24 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 28342691 |
| MCF7 | IC50 | = | 810.0 | nM | 6.09 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 28342691 |
| Amine oxidase [flavin-containing] A | IC50 | = | 1000.0 | nM | 6.0 | Ability to inhibit Monoamine oxidase A enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 1000.0 | nM | 6.0 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28342691 | 10.1016/j.bmc.2017.03.019 | Unchecked | 2 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 1 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
| 28342691 | 10.1016/j.bmc.2017.03.019 | DNA topoisomerase 2-alpha | 1 |
| 28342691 | 10.1016/j.bmc.2017.03.019 | HeLa | 1 |
| 28342691 | 10.1016/j.bmc.2017.03.019 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine