Compound Detail
CHEMBL2348636
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Basic Information
| ChEMBL ID | CHEMBL2348636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNABWOXPZHNXFV-GFCCVEGCSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
5.94
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 7.3 | 7.26 | 50.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.167 | hr | Mus musculus |
| T1/2 | 0.4167 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23668331 | 10.1021/jm400241j | Liver | 2 |
| 23668331 | 10.1021/jm400241j | Inosine-5'-monophosphate dehydrogenase | 2 |
| 23668331 | 10.1021/jm400241j | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine