Compound Detail
CHEMBL2170128
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2170128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHUJBKQHRPGIFN-YVMONPNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.52
ALogP
4
HBA
2
HBD
49.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 1 CHEMBL1075138 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of human PNP | 38701712 |
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-lab... | 23006064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23006064 | 10.1021/jm3008773 | Tyrosyl-DNA phosphodiesterase 1 | 1 |
| 38701712 | 10.1016/j.ejmech.2024.116437 | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine