Compound Detail
CHEMBL3984949
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Basic Information
| ChEMBL ID | CHEMBL3984949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFHYBIRNRJMVFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.2
MW (Da)
3.66
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 12 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human C-terminal eGFP-tagged URAT1 long isoform expressed in CHO c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00191B | No relevant target | 2 |
| - | 10.1039/C6MD00191B | Solute carrier family 22 member 12 | 1 |
| - | 10.1039/C6MD00191B | ADMET | 1 |
| - | 10.1039/C6MD00191B | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine