Compound Detail
CHEMBL608305
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Basic Information
| ChEMBL ID | CHEMBL608305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMXHURAGFHWODC-PUXKXDTASA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
-0.22
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.7
Ki 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase CHEMBL2663 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 1900.0 | nM | 5.72 | The inhibitory constant(Ki) for MTA phosphorylase activity was determined by usi... | 1908523 |
| MOLT-4 | IC50 | = | 20000.0 | nM | 4.7 | 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 |
| 1908523 | 10.1021/jm00112a039 | CCRF-CEM | 1 |
| 1908523 | 10.1021/jm00112a039 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine