Compound Detail
CHEMBL5208003
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Basic Information
| ChEMBL ID | CHEMBL5208003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUSOLEDYIJJROB-MRXNPFEDSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.18
ALogP
5
HBA
3
HBD
90.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.19 | 4.8033 | 6500.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... | 35604136 |
| Unchecked | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... | 35604136 |
| Unchecked | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... | 35604136 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... | 35604136 |
| Unchecked | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... | 35604136 |
| Unchecked | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... | 35604136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35604136 | 10.1021/acs.jmedchem.2c00338 | Unchecked | 17 |
Data from ChEMBL 36 via Core Engine