Compound Detail
CHEMBL2035651
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Basic Information
| ChEMBL ID | CHEMBL2035651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZHDIGBWZULPFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.96
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 8.63 | 8.63 | 2.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 2.34 | nM | 8.63 | 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 | Liver microsomes | 2 |
| 22546671 | 10.1016/j.bmcl.2012.04.004 | Hematopoietic prostaglandin D synthase | 1 |
| 22546671 | 10.1016/j.bmcl.2012.04.004 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine