Compound Detail
CHEMBL3604360
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Basic Information
| ChEMBL ID | CHEMBL3604360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTHMDFGHOCNNOE-VHSXEESVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
0.70
ALogP
6
HBA
3
HBD
91.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250346 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| S-methyl-5'-thioadenosine phosphorylase CHEMBL4941 | Ki | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Ki | = | 4.5 | nM | 8.35 | Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL... | 26260335 |
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 750.0 | nM | 6.12 | Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxid... | 26260335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26260335 | 10.1016/j.bmc.2015.07.059 | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 1 |
| 26260335 | 10.1016/j.bmc.2015.07.059 | S-methyl-5'-thioadenosine phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine