Compound Detail
CHEMBL3915885
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Basic Information
| ChEMBL ID | CHEMBL3915885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAOJUXMCBJOJNI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
1.64
ALogP
6
HBA
4
HBD
161.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 316.0 | 1 |
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 316.0 | nM | 6.5 | Cell-Based Assay of NHE-3 Activity: Rat NHE-3-mediated Na+-dependent H+ antiport... | - |
| Sodium/hydrogen exchanger 3 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of rat NHE-3-mediated Na+ dependent H+ antiport expressed in opossum ... | - |
Data from ChEMBL 36 via Core Engine