Compound Detail
CHEMBL376503
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Basic Information
| ChEMBL ID | CHEMBL376503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZXGXVQWEUFULR-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
647.9
MW (Da)
7.02
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.05
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL5653 | Ki | 7.05 | 7.05 | 89.1 | 2 |
| RmtA CHEMBL1075069 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.39 | 6.39 | 406.0 | 1 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Solute carrier family 22 member 20 CHEMBL5269 | Ki | 5.36 | 5.36 | 4365.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Ki | = | 89.13 | nM | 7.05 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 90.0 | nM | 7.05 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| RmtA | IC50 | = | 180.0 | nM | 6.75 | Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells | 17323938 |
| Unchecked | IC50 | = | 406.0 | nM | 6.39 | Inhibition of VGLUT in rat synaptic vesicles assessed as [3H]glutamate uptake pr... | 20708942 |
| Protein arginine N-methyltransferase 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells | 17323938 |
| Solute carrier family 22 member 20 | Ki | = | 4365.16 | nM | 5.36 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 20 | Ki | = | 4400.0 | nM | 5.36 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 6 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 20 | 2 |
| 17323938 | 10.1021/jm061213n | RmtA | 1 |
| 17323938 | 10.1021/jm061213n | Protein arginine N-methyltransferase 1 | 1 |
| 17553798 | 10.1074/jbc.m703467200 | Unchecked | 1 |
| 20708942 | 10.1016/j.bmc.2010.06.069 | Unchecked | 1 |
| 31879180 | 10.1016/j.bmc.2019.115249 | Poly(ADP-ribose) glycohydrolase | 1 |
Data from ChEMBL 36 via Core Engine