Compound Detail
CHEMBL422789
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Basic Information
| ChEMBL ID | CHEMBL422789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQMYPPFSSSYPDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.2
MW (Da)
3.35
ALogP
4
HBA
3
HBD
111.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-citrate synthase CHEMBL2745 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-citrate synthase | Ki | = | 25000.0 | nM | 4.6 | Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydr... | 8784456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784456 | 10.1021/jm960167w | ATP-citrate synthase | 1 |
Data from ChEMBL 36 via Core Engine