Compound Detail
CHEMBL62847
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Basic Information
| ChEMBL ID | CHEMBL62847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVGJMPBYPXLAAV-RJNFYWFKSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
0.17
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.35
Ki 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P3 purinoceptor CHEMBL612413 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| S-methyl-5'-thioadenosine phosphorylase CHEMBL2663 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P3 purinoceptor | Ki | = | 1100.0 | nM | 5.96 | Binding activity was evaluated on P3 purinoceptor-like protein from rat brain me... | 9667957 |
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 1700.0 | nM | 5.77 | The inhibitory constant(Ki) for MTA phosphorylase activity was determined by usi... | 1908523 |
| MOLT-4 | IC50 | = | 45000.0 | nM | 4.35 | The concentration required to inhibit cell growth by 50% was measured on human M... | 1908523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1908523 | 10.1021/jm00112a039 | Adenosylhomocysteinase | 5 |
| 1908523 | 10.1021/jm00112a039 | L1210 | 4 |
| 1908523 | 10.1021/jm00112a039 | L5178Y | 4 |
| 1908523 | 10.1021/jm00112a039 | S-methyl-5'-thioadenosine phosphorylase | 2 |
| 9667957 | 10.1021/jm9802822 | P3 purinoceptor | 1 |
| 1908523 | 10.1021/jm00112a039 | CCRF-CEM | 1 |
| 1908523 | 10.1021/jm00112a039 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine