Compound Detail
CHEMBL4783711
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Basic Information
| ChEMBL ID | CHEMBL4783711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWSFVTDGWLQLIO-SFHVURJKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
4.77
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 8.85 | 7.92 | 1.4 | 2 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 res... | 29570292 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 103.0 | nM | 6.99 | Inhibition of MAP4K4 in human GripTite 293 MSR cells assessed as reduction in TR... | 29570292 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of PDE5A1 (unknown origin) | 29570292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29570292 | 10.1021/acs.jmedchem.8b00152 | ADMET | 3 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | Mitogen-activated protein kinase kinase kinase kinase 4 | 2 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine