Compound Detail
CHEMBL4876631
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COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CC(=O)N2CCN(C)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4876631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQVSBDBDIUZEOX-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.7
MW (Da)
4.96
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of ASM in dog MDCK cells co-expressing recombinant full length mGFP-t... | 33756124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33756124 | 10.1016/j.ejmech.2021.113381 | Unchecked | 2 |
| 33756124 | 10.1016/j.ejmech.2021.113381 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine