Compound Detail
CHEMBL4174098
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Basic Information
| ChEMBL ID | CHEMBL4174098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHQAYEWCFXQLJP-CIAFOILYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.6
MW (Da)
3.96
ALogP
5
HBA
2
HBD
66.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystathionine gamma-lyase CHEMBL4295745 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystathionine gamma-lyase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction i... | 29259741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259741 | 10.1021/acsmedchemlett.7b00313 | Cystathionine gamma-lyase | 1 |
Data from ChEMBL 36 via Core Engine