Compound Detail
CHEMBL2035653
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Basic Information
| ChEMBL ID | CHEMBL2035653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUUADNJAZQZKLA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.27
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 8.26 | nM | 8.08 | Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as produc... | 22546671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22546671 | 10.1016/j.bmcl.2012.04.004 | Hematopoietic prostaglandin D synthase | 1 |
| 22546671 | 10.1016/j.bmcl.2012.04.004 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine