Compound Detail
CHEMBL3900790
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Basic Information
| ChEMBL ID | CHEMBL3900790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYWUYWVHLMJGJO-WYOZQYPVSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.15
ALogP
2
HBA
2
HBD
76.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Sodium/hydrogen exchanger 2 CHEMBL3133 | IC50 | 6.37 | 6.37 | 430.0 | 2 |
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 4.96 | 4.96 | 11000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of NHE-1 (unknown origin) | - |
| Sodium/hydrogen exchanger 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of NHE1 (unknown origin) | - |
| Sodium/hydrogen exchanger 2 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of NHE-2 (unknown origin) | - |
| Sodium/hydrogen exchanger 2 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of NHE2 (unknown origin) | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of NHE-3 (unknown origin) | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of NHE3 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine