Compound Detail
CHEMBL1215297
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 | CHEMBL1215297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHQRGRKCMLSVLM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.36
ALogP
6
HBA
5
HBD
141.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 5.89 | 4.965 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immu... | 20684598 |
| Hematopoietic prostaglandin D synthase | IC50 | = | 91300.0 | nM | 4.04 | Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immu... | 20684598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684598 | 10.1021/jm100194a | Hematopoietic prostaglandin D synthase | 2 |
Data from ChEMBL 36 via Core Engine