Compound Detail
CHEMBL1917528
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 | CHEMBL1917528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAGDKDKLSFQMAJ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.16
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
| AGS CHEMBL613860 | IC50 | 4.34 | 4.34 | 45500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
| J82 CHEMBL614586 | IC50 | 4.2 | 4.2 | 62600.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.19 | 4.19 | 65100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 1230.0 | nM | 5.91 | Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B... | 22005185 |
| AGS | IC50 | = | 45500.0 | nM | 4.34 | Cytotoxicity against human AGS cells assessed as cell viability after 72 hrs by ... | 23454511 |
| Plasmodium falciparum | IC50 | = | 51000.0 | nM | 4.29 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCR-... | 23164712 |
| J82 | IC50 | = | 62600.0 | nM | 4.2 | Cytotoxicity against human J82 cells assessed as cell viability after 72 hrs by ... | 23454511 |
| MRC5 | IC50 | = | 65100.0 | nM | 4.19 | Cytotoxicity against human MRC5 cells | 23164712 |
| MRC5 | IC50 | = | 65100.0 | nM | 4.19 | Cytotoxicity against human MRC5 cells assessed as cell viability after 72 hrs by... | 23454511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Amine oxidase [flavin-containing] A | 1 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Amine oxidase [flavin-containing] B | 1 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Unchecked | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | Unchecked | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | MRC5 | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | Plasmodium falciparum | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | SK-MES-1 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | MRC5 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | J82 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | AGS | 1 |
Data from ChEMBL 36 via Core Engine