Compound Detail
CHEMBL1683746
MYCOPHENOLIC ETHYLENEBIS Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1683746 |
| Name | MYCOPHENOLIC ETHYLENEBIS |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIAZQFIXGKECGF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.2
MW (Da)
1.30
ALogP
7
HBA
4
HBD
159.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | Ki | 5.42 | 5.42 | 3770.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | Ki | 5.26 | 5.26 | 5550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | Ki | = | 3770.0 | nM | 5.42 | Inhibition of human IMPDH2 by Spectrophotometer | 21324702 |
| Inosine-5'-monophosphate dehydrogenase 1 | Ki | = | 5550.0 | nM | 5.26 | Inhibition of human IMPDH1 by Spectrophotometry | 21324702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21324702 | 10.1016/j.bmc.2011.01.042 | Inosine-5'-monophosphate dehydrogenase 1 | 1 |
| 21324702 | 10.1016/j.bmc.2011.01.042 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 21324702 | 10.1016/j.bmc.2011.01.042 | K562 | 1 |
Data from ChEMBL 36 via Core Engine