Compound Detail
CHEMBL2153490
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Basic Information
| ChEMBL ID | CHEMBL2153490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXUMOEQVYHYPGP-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
-0.49
ALogP
7
HBA
3
HBD
148.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.7
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.7 | 6.43 | 200.0 | 4 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.62 | 5.62 | 2400.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 200.0 | nM | 6.7 | Inhibition of Plasmodium falciparum recombinant HGPRT expressed in Escherichia c... | 22725979 |
| Unchecked | Ki | = | 200.0 | nM | 6.7 | Inhibition of Plasmodium falciparum HGPRT | 25494538 |
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of Plasmodium vivax HGPRT using Prib-PP as substrate by spectrophotom... | 22725979 |
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of Plasmodium vivax HGPRT | 25494538 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 2400.0 | nM | 5.62 | Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay... | 22725979 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 2400.0 | nM | 5.62 | Inhibition of human HGPRT | 25494538 |
| Plasmodium falciparum | IC50 | = | 75000.0 | nM | 4.12 | Antimalarial activity against Plasmodium falciparum D6 assessed as inhibition of... | 25494538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22725979 | 10.1021/jm300662d | ADMET | 2 |
| 22725979 | 10.1021/jm300662d | Unchecked | 2 |
| 25494538 | 10.1021/jm501416t | Plasmodium falciparum | 2 |
| 25494538 | 10.1021/jm501416t | 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 |
| 25494538 | 10.1021/jm501416t | A549 | 1 |
| 25494538 | 10.1021/jm501416t | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine