Compound Detail
CHEMBL590878
DELPHINIDIN CHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL590878 |
| Name | DELPHINIDIN CHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFNDMZIBVDSQFI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL276780 |
| Active Moiety | CHEMBL276780 |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
2.61
ALogP
6
HBA
6
HBD
132.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.29
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.4 | 4.25 | 40000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5.09 | nM | 8.29 | Inhibition of VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate af... | 27484508 |
| Epidermal growth factor receptor | IC50 | = | 6.27 | nM | 8.2 | Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after... | 27484508 |
| Lactoylglutathione lyase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human recombinant glyoxalase 1 assessed as S-D-lactoylglutathione ... | 20801663 |
| Alpha-synuclein | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of human alpha-synuclein filament formation expressed in Escherichia ... | 30743095 |
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of p300 (unknown origin)/CBP (unknown origin) | 31195169 |
| HL-60 | IC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against human HL60 cells after 48 hrs by MTS assay | 20801663 |
| HL-60 | IC50 | = | 80000.0 | nM | 4.1 | Antiproliferative activity against human HL60 cells after 24 hrs by MTS assay | 20801663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29122484 | 10.1016/j.bmcl.2017.09.024 | SK-OV-3 | 10 |
| 20801663 | 10.1016/j.bmc.2010.08.012 | HL-60 | 6 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 34213345 | 10.1021/acs.jmedchem.1c00601 | NAD-dependent protein deacylase sirtuin-6 | 2 |
| 20801663 | 10.1016/j.bmc.2010.08.012 | Lactoylglutathione lyase | 1 |
| 27484508 | 10.1016/j.ejmech.2016.07.049 | Vascular endothelial growth factor receptor 2 | 1 |
| 27484508 | 10.1016/j.ejmech.2016.07.049 | Epidermal growth factor receptor | 1 |
| 29122484 | 10.1016/j.bmcl.2017.09.024 | Unchecked | 1 |
| 29122484 | 10.1016/j.bmcl.2017.09.024 | RAC-alpha serine/threonine-protein kinase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 31195169 | 10.1016/j.ejmech.2019.05.078 | CREB-binding protein/Histone acetyltransferase p300 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 30743095 | 10.1016/j.ejmech.2019.01.045 | Alpha-synuclein | 1 |
Data from ChEMBL 36 via Core Engine