Compound Detail
CHEMBL4463976
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Basic Information
| ChEMBL ID | CHEMBL4463976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZCMKTNTDCJBSS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
4.16
ALogP
7
HBA
1
HBD
104.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.695 | 1880.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1880.0 | nM | 5.73 | Inhibition of Helicobacter pylori IMPDH incubated for 10 mins by multilabel read... | 34218084 |
| Unchecked | IC50 | = | 2210.0 | nM | 5.66 | Inhibition of Helicobacter pylori IMPDH incubated for 10 mins in presence of NAD... | 34218084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34218084 | 10.1016/j.ejmech.2021.113669 | Unchecked | 3 |
| 30594677 | 10.1016/j.ejmech.2018.12.019 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 30594677 | 10.1016/j.ejmech.2018.12.019 | ATP-dependent translocase ABCB1 | 1 |
| 34218084 | 10.1016/j.ejmech.2021.113669 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine