Compound Detail
CHEMBL3318351
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Basic Information
| ChEMBL ID | CHEMBL3318351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COBKEFOWTCEAKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
2.05
ALogP
5
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystathionine gamma-lyase CHEMBL4295745 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystathionine gamma-lyase | IC50 | = | 6000.0 | nM | 5.22 | 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 | 4 |
| 25036789 | 10.1016/j.ejmech.2014.06.078 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 25036789 | 10.1016/j.ejmech.2014.06.078 | No relevant target | 1 |
| 29259741 | 10.1021/acsmedchemlett.7b00313 | Cystathionine beta-synthase | 1 |
Data from ChEMBL 36 via Core Engine