Compound Detail
CHEMBL5401022
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Basic Information
| ChEMBL ID | CHEMBL5401022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXHQBJOUTIZUST-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.7
MW (Da)
2.71
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CHEMBL4660 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human CD38 using epslon-NAD as substrate and measured for 1 hrs by... | 37696000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37696000 | 10.1021/acs.jmedchem.3c00391 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine