Compound Detail
CHEMBL5075403
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
CN1C(=O)CCC(N2C(=O)c3cccc(N4CCN(C(=O)C5CCN(c6ccc(NC(=O)c7cnc(Oc8ccccc8)nc7)cc6)CC5)CC4)c3C2=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL5075403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUILKUWMNHXPIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
756.8
MW (Da)
3.83
ALogP
11
HBA
1
HBD
165.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of H-PGDS (unknown origin) using fluorescent probe by competition bin... | 34652145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34652145 | 10.1021/acs.jmedchem.1c01206 | Protein cereblon/Hematopoietic prostaglandin D synthase | 1 |
| 34652145 | 10.1021/acs.jmedchem.1c01206 | Hematopoietic prostaglandin D synthase | 1 |
| 34652145 | 10.1021/acs.jmedchem.1c01206 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine