Compound Detail
CHEMBL4082726
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Basic Information
| ChEMBL ID | CHEMBL4082726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDQQWCLOMUMQMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.78
ALogP
7
HBA
3
HBD
118.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase CHEMBL4105941 | IC50 | 5.76 | 5.76 | 1746.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase | IC50 | = | 1746.0 | nM | 5.76 | Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate b... | 29345930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29345930 | 10.1021/acs.jmedchem.7b01254 | 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine