Compound Detail
CHEMBL219885
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 | CHEMBL219885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GODZTRPPUKXMSY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
3.50
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | 37.5 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 21.0 | nM | 7.68 | Vasodilation of phenylephrine-induced contraction in Wistar rat aorta | 17335184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17335184 | 10.1021/jm0607247 | ADMET | 1 |
| 17335184 | 10.1021/jm0607247 | Prostaglandin G/H synthase 2 | 1 |
| 17335184 | 10.1021/jm0607247 | Prostaglandin G/H synthase 1 | 1 |
| 17335184 | 10.1021/jm0607247 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine