Compound Detail
CHEMBL1331422
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Basic Information
| ChEMBL ID | CHEMBL1331422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBZMPNGHYYLKTD-VAWYXSNFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.77
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3056.0 | 1 |
| Solute carrier family 12 member 2/member 5 CHEMBL3885641 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3056.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
| Solute carrier family 12 member 2/member 5 | IC50 | = | 7900.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Identification of Novel Modulators of Cl- dependent Transport ... | - |
Data from ChEMBL 36 via Core Engine