Compound Detail
CHEMBL331373
HADACIDIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL331373 |
| Name | HADACIDIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URJHVPKUWOUENU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
119.1
MW (Da)
-1.08
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylosuccinate synthetase isozyme 2 CHEMBL4875 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylosuccinate synthetase isozyme 2 | IC50 | = | 3500.0 | nM | 5.46 | Inhibitory concentration against Adenylosuccinate synthetase | 15214773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129960 | 10.1016/j.bmcl.2010.10.088 | Unchecked | 3 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 2 |
| 15214773 | 10.1021/jm040031v | Adenylosuccinate synthetase isozyme 2 | 1 |
Data from ChEMBL 36 via Core Engine