Compound Detail
CHEMBL5197897
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CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5197897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVXAFGNQOGEQLF-UFYCRDLUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
0.68
ALogP
5
HBA
6
HBD
152.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.67
Kd 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-induced degradation protein 4 homolog CHEMBL5169174 | Kd | 5.64 | 5.64 | 2300.0 | 1 |
| Glucose-induced degradation protein 4 homolog CHEMBL5169174 | IC50 | 4.67 | 4.67 | 21400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-induced degradation protein 4 homolog | Kd | = | 2300.0 | nM | 5.64 | Binding affinity to recombinant GID4 (unknown origin) assessed as dissociation c... | 38516600 |
| Glucose-induced degradation protein 4 homolog | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of GID4 (124 to 289) (unknown origin) expressed in Escherichia coli B... | 36117290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36117290 | 10.1021/acs.jmedchem.2c00509 | Glucose-induced degradation protein 4 homolog | 3 |
| 38516600 | 10.1039/d3md00633f | Glucose-induced degradation protein 4 homolog | 2 |
Data from ChEMBL 36 via Core Engine