Compound Detail
CHEMBL399905
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Basic Information
| ChEMBL ID | CHEMBL399905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXJYEFNFMZBOHX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
149.1
MW (Da)
-0.24
ALogP
5
HBA
0
HBD
78.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 1030.0 | nM | 5.99 | Vasodilatory effect in pig pulmonary artery assessed as inhibition of PGF2-alpha... | 17855086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17855086 | 10.1016/j.bmcl.2007.08.046 | Molecular identity unknown | 2 |
Data from ChEMBL 36 via Core Engine