Compound Detail
CHEMBL118538
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 | CHEMBL118538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIMFNRPHMYSQMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
5.69
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 830.0 | nM | 6.08 | Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincu... | 27148793 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 2150.0 | nM | 5.67 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27148793 | 10.1021/acs.jmedchem.6b00330 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 27148793 | 10.1021/acs.jmedchem.6b00330 | MDCK-II | 2 |
| 7658441 | 10.1021/jm00018a014 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 27148793 | 10.1021/acs.jmedchem.6b00330 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine