Compound Detail
CHEMBL1215516
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Basic Information
| ChEMBL ID | CHEMBL1215516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIQDTIPATXJLMH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.64
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
EC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL3309049 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 5.92 | 4.965 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | EC50 | = | 290.0 | nM | 6.54 | Inhibition of H-PGDH in mouse BMDM cells assessed as inhibition of LPS-stimulate... | 20684598 |
| Hematopoietic prostaglandin D synthase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immu... | 20684598 |
| Hematopoietic prostaglandin D synthase | IC50 | = | 97000.0 | nM | 4.01 | 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 | 11 |
| 20684598 | 10.1021/jm100194a | ADMET | 3 |
| 20684598 | 10.1021/jm100194a | Prostaglandin G/H synthase 2 | 1 |
| 20684598 | 10.1021/jm100194a | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine