Compound Detail
CHEMBL4800045
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CCNC(=O)c1cc(C(=O)NCCCN(C)C)cc(-c2cc(NC(=O)Nc3c(Cl)cncc3Cl)c(=O)n(CC)n2)c1
Basic Information
| ChEMBL ID | CHEMBL4800045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBWCSPVCIHIOEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
603.5
MW (Da)
3.71
ALogP
8
HBA
4
HBD
150.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 0.05 | nM | 10.3 | Inhibition of PDE4 (unknown origin) expressed in Saccharomyces cerevisiae using ... | 32255344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine