Compound Detail
CHEMBL2153489
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Basic Information
| ChEMBL ID | CHEMBL2153489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGDYHKAMNIRJKE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
-0.88
ALogP
7
HBA
3
HBD
148.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 4.46 | 4.46 | 35000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 35000.0 | nM | 4.46 | Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay... | 22725979 |
| Unchecked | Ki | = | 47000.0 | nM | 4.33 | Inhibition of Plasmodium vivax HGPRT using Prib-PP as substrate by spectrophotom... | 22725979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22725979 | 10.1021/jm300662d | ADMET | 2 |
| 22725979 | 10.1021/jm300662d | Unchecked | 2 |
| 22725979 | 10.1021/jm300662d | CCRF-CEM | 1 |
| 22725979 | 10.1021/jm300662d | L1210 | 1 |
| 22725979 | 10.1021/jm300662d | HL-60 | 1 |
| 22725979 | 10.1021/jm300662d | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 22725979 | 10.1021/jm300662d | HEL | 1 |
| 22725979 | 10.1021/jm300662d | Vero | 1 |
Data from ChEMBL 36 via Core Engine