Compound Detail
CHEMBL190216
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Basic Information
| ChEMBL ID | CHEMBL190216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYPDSUHIVSYCNQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
2.15
ALogP
6
HBA
4
HBD
89.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase CHEMBL4941 | Ki | 9.8 | 9.445 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 0.16 | nM | 9.8 | Inhibition of human MTAP as equilibrium dissociation constant | 16000004 |
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 0.81 | nM | 9.09 | Inhibition of human MTAP as initial dissociation constant | 16000004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16000004 | 10.1021/jm050269z | S-methyl-5'-thioadenosine phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine