Compound Detail
CHEMBL279064
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 | CHEMBL279064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIBFDTUUNLMFMC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.13
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of bovine aortic PDE4 using cAMP as substrate in presence of cGMP | 21920746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111300 | 10.1021/jm960506l | Mus musculus | 14 |
| 9719593 | 10.1021/jm9800393 | Mus musculus | 12 |
| 9871522 | 10.1016/s0960-894x(98)00148-6 | Mus musculus | 8 |
| 11123993 | 10.1021/jm001012y | ADMET | 4 |
| 9719593 | 10.1021/jm9800393 | ADMET | 2 |
| 15027880 | 10.1021/jm0310838 | Glutamate receptor ionotropic, AMPA | 2 |
| 9871522 | 10.1016/s0960-894x(98)00148-6 | ADMET | 2 |
| 9111300 | 10.1021/jm960506l | ADMET | 2 |
| 11123993 | 10.1021/jm001012y | No relevant target | 1 |
| 9719593 | 10.1021/jm9800393 | No relevant target | 1 |
| 9111300 | 10.1021/jm960506l | No relevant target | 1 |
| 21920746 | 10.1016/j.bmcl.2011.08.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine