Compound Detail
CHEMBL1207374
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Basic Information
| ChEMBL ID | CHEMBL1207374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRSZFWQUAKGDAV-KQYNXXCUSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
348.2
MW (Da)
-2.15
ALogP
9
HBA
5
HBD
180.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.6
EC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) CHEMBL2111369 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
| T1R1/T1R3 CHEMBL3832641 | EC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) | Ki | = | 250.0 | nM | 6.6 | Inhibitory activity against Inosine-5'-monophosphate dehydrogenase | 12729643 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 5400.0 | nM | 5.27 | Inhibition of human HGPRT | 25915781 |
| T1R1/T1R3 | EC50 | = | 70000.0 | nM | 4.16 | Activation of T1R1/T1R3 Receptor by Nucleotide Derivatives (alanine): The concen... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Unchecked | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 12729643 | 10.1016/s0960-894x(03)00237-3 | Inosine-5'-monophosphate dehydrogenase (IMPDH) | 1 |
| 6142953 | 10.1021/jm00370a003 | Inosine-5'-monophosphate dehydrogenase (IMPDH) | 1 |
| 6120232 | 10.1021/jm00142a007 | Inosine-5'-monophosphate dehydrogenase | 1 |
| 23927482 | 10.1021/jm400779n | Unchecked | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine