Compound Detail
CHEMBL38902
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 | CHEMBL38902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGOILMDABCVEJA-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
0.21
ALogP
9
HBA
8
HBD
220.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3690 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Folylpolyglutamate synthase, mitochondrial CHEMBL2890 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | Ki | = | 47.0 | nM | 7.33 | In vitro inhibition of Glycinamide ribonucleotide formyltransferase from L1210 m... | 1578484 |
| Folylpolyglutamate synthase, mitochondrial | Ki | = | 3200.0 | nM | 5.5 | In vitro inhibition of mouse liver Folyl-polyglutamate synthase | 1578484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578484 | 10.1021/jm00087a012 | Folylpolyglutamate synthase, mitochondrial | 1 |
| 1578484 | 10.1021/jm00087a012 | Trifunctional purine biosynthetic protein adenosine-3 | 1 |
| 1578484 | 10.1021/jm00087a012 | Dihydrofolate reductase | 1 |
| 1578484 | 10.1021/jm00087a012 | Thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine