Compound Detail
CHEMBL592005
MALVIDIN CHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL592005 |
| Name | MALVIDIN CHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQIKOUUKQBTQBE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL255753 |
| Active Moiety | CHEMBL255753 |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
331.3
MW (Da)
3.22
ALogP
6
HBA
4
HBD
110.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.05 | 5.05 | 9000.0 | 3 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.66 | 4.66 | 22100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1410.0 | nM | 5.85 | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated ... | 29609120 |
| RAW264.7 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of LPS-stimulated ROS production in mouse RAW264.7 cells after 22 hrs... | 28159411 |
| RAW264.7 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of LPS-stimulated ROS production in mouse RAW264.7 cells preincubated... | 28384544 |
| RAW264.7 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of ROS production in LPS-induced mouse RAW264.7 cells incubated for 2... | 35932905 |
| Amine oxidase [flavin-containing] A | IC50 | = | 22100.0 | nM | 4.66 | Inhibition of recombinant human MAO-A expressed in baculovirus infected insect c... | 29925480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19944611 | 10.1016/j.bmc.2009.11.015 | No relevant target | 1 |
| 19944611 | 10.1016/j.bmc.2009.11.015 | NON-PROTEIN TARGET | 1 |
| 28159411 | 10.1016/j.bmcl.2017.01.061 | RAW264.7 | 1 |
| 28384544 | 10.1016/j.ejmech.2017.03.049 | RAW264.7 | 1 |
| 29925480 | 10.1016/j.bmcl.2018.06.023 | Amine oxidase [flavin-containing] A | 1 |
| 29609120 | 10.1016/j.ejmech.2018.03.041 | Dipeptidyl peptidase 4 | 1 |
| 35932905 | 10.1016/j.bmcl.2022.128921 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine