Compound Detail
CHEMBL67567
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 | CHEMBL67567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNWXDMSCYHSQIP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.14
ALogP
7
HBA
1
HBD
100.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 5.917 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 3100.0 | nM | 5.51 | In vitro inhibitory activity against platelet phosphodiesterase (PDE) | 2846840 |
| Homo sapiens | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of platelet aggregation | 2846840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2846840 | 10.1021/jm00119a015 | Canis familiaris | 2 |
| 2846840 | 10.1021/jm00119a015 | ADMET | 1 |
| 2846840 | 10.1021/jm00119a015 | Phosphodiesterase 4 | 1 |
| 2846840 | 10.1021/jm00119a015 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine