Compound Detail
CHEMBL3144008
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Basic Information
| ChEMBL ID | CHEMBL3144008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJPXRJVAWSAZFX-DKSHWDCFSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
268.2
MW (Da)
-3.19
ALogP
8
HBA
4
HBD
136.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.0
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 100000.0 | nM | 4.0 | PNP activity in human RBC | 8478902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7143371 | 10.1021/jm00353a012 | Vero | 17 |
| 3123692 | 10.1021/jm00397a010 | Unchecked | 2 |
| 3783585 | 10.1021/jm00161a017 | L1210 | 1 |
| 3783585 | 10.1021/jm00161a017 | NON-PROTEIN TARGET | 1 |
| 3783585 | 10.1021/jm00161a017 | CCRF-CEM | 1 |
| 3093681 | 10.1021/jm00160a040 | Purine nucleoside phosphorylase | 1 |
| 8478902 | 10.1021/jm00060a010 | Purine nucleoside phosphorylase | 1 |
| 3123692 | 10.1021/jm00397a010 | Purine nucleoside phosphorylase | 1 |
| 2539476 | 10.1021/jm00124a005 | Human respirovirus 3 | 1 |
| 2539476 | 10.1021/jm00124a005 | Human rhinovirus 1A | 1 |
| 2539476 | 10.1021/jm00124a005 | Human alphaherpesvirus 2 | 1 |
| 2539476 | 10.1021/jm00124a005 | Human adenovirus 2 | 1 |
Data from ChEMBL 36 via Core Engine