Compound Detail
CHEMBL567517
LACINARTIN 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 | CHEMBL567517 |
| Name | LACINARTIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBHJUIRMCYXTBK-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.15
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3681 | IC50 | 5.24 | 5.24 | 5700.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL3050 | IC50 | 4.54 | 4.54 | 28600.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of mouse brain MAO-A | 23517722 |
| Amine oxidase [flavin-containing] A | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of MAO-A in mouse brain mitochondrial fraction using kynuramine as su... | 30686752 |
| Unchecked | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of mouse brain monoamine oxidase | 23517722 |
| Amine oxidase [flavin-containing] B | IC50 | = | 28600.0 | nM | 4.54 | Inhibition of mouse brain MAO-B | 23517722 |
| LoVo | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against human LoVo cells after 72 hrs by MTT assay | 21696954 |
| PC-3 | IC50 | = | 46000.0 | nM | 4.34 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 21696954 |
| NON-PROTEIN TARGET | IC50 | = | 70000.0 | nM | 4.16 | Cytotoxicity against human U373 cells after 72 hrs by MTT assay | 21696954 |
| A549 | IC50 | = | 95000.0 | nM | 4.02 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 21696954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22472691 | 10.1016/j.bmcl.2012.03.057 | Bile acid receptor | 8 |
| 19679472 | 10.1016/j.bmcl.2009.07.110 | Mus musculus | 5 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | NON-PROTEIN TARGET | 4 |
| 29730190 | 10.1016/j.ejmech.2018.04.051 | Melan-a | 3 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | A549 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | PC-3 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | SK-MEL-28 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | LoVo | 1 |
| 23517722 | 10.1016/j.bmc.2013.02.017 | Amine oxidase [flavin-containing] B | 1 |
| 23517722 | 10.1016/j.bmc.2013.02.017 | Amine oxidase [flavin-containing] A | 1 |
| 23517722 | 10.1016/j.bmc.2013.02.017 | Unchecked | 1 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine