Compound Detail
CHEMBL3897683
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Basic Information
| ChEMBL ID | CHEMBL3897683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEWGFTFNXDMBAM-AMMQDNIMSA-N |
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
0.61
ALogP
3
HBA
5
HBD
160.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 7.7 | 7.7 | 20.0 | 3 |
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 5.44 | 5.44 | 3600.0 | 3 |
| Sodium/hydrogen exchanger 2 CHEMBL3770 | IC50 | 4.1 | 4.1 | 80000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human NHE3 expressed in chinese hamster LAP1 cells assessed as red... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of NHE-3 (unknown origin) | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of NHE3 (unknown origin) | - |
| Sodium/hydrogen exchanger 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human NHE1 expressed in chinese hamster LAP1 cells assessed as red... | - |
| Sodium/hydrogen exchanger 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of NHE-1 (unknown origin) | - |
| Sodium/hydrogen exchanger 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of NHE1 (unknown origin) | - |
| Sodium/hydrogen exchanger 2 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of rabbit NHE2 expressed in chinese hamster LAP1 cells assessed as re... | - |
| Sodium/hydrogen exchanger 2 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of rabbit NHE-2 | - |
| Sodium/hydrogen exchanger 2 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of rabbit NHE2 | - |
Data from ChEMBL 36 via Core Engine