Compound Detail
CHEMBL3426040
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Basic Information
| ChEMBL ID | CHEMBL3426040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEKZQVPNLJQCJI-HDJSIYSDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
3.38
ALogP
6
HBA
2
HBD
67.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CHEMBL3425388 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 CHEMBL4660 | IC50 | 7.85 | 7.85 | 14.0 | 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 | = | 2.5 | nM | 8.6 | Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE c... | 25828863 |
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human CD38 extracellular domain expressed in Pichia pastoris asses... | 25828863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25828863 | 10.1021/jm502009h | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 2 |
| 25828863 | 10.1021/jm502009h | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine