Compound Detail
CHEMBL5438623
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Basic Information
| ChEMBL ID | CHEMBL5438623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKXUSHZRSSIEGQ-RNCFNFMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.1
MW (Da)
2.06
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-citrate synthase CHEMBL2745 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-citrate synthase | Ki | = | 1000.0 | nM | 6.0 | Binding affinity to rat ACLY assessed as inhibition constant measured after 20 m... | 37428122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37428122 | 10.1021/acs.jmedchem.3c00179 | ATP-citrate synthase | 1 |
Data from ChEMBL 36 via Core Engine