Compound Detail
CHEMBL4114657
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4114657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPCGWSLJNUVKFH-YBEGLDIGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] CHEMBL1293255 | IC50 | 7.3 | 7.3 | 49.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 49.8 | nM | 7.3 | Inhibition Assay: Experimental was performed by measuring the formation of NADH ... | - |
Data from ChEMBL 36 via Core Engine