Compound Detail
CHEMBL1277323
QUERCETAGETINIDIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1277323 |
| Name | QUERCETAGETINIDIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWDAKBACEAGRSH-UHFFFAOYSA-O |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CHEMBL4660 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of Schistosoma mansoni recombinant NAD+ glycohydrolase expressed in P... | 20951593 |
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | IC50 | = | 14200.0 | nM | 4.85 | Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuou... | 21641214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20951593 | 10.1016/j.bmc.2010.09.041 | Unchecked | 1 |
| 21641214 | 10.1016/j.bmcl.2011.05.022 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine