Compound Detail
CHEMBL4851435
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C[C@H](c1ccc([N+](=O)[O-])cc1)N(CC=C(c1ccccc1)c1ccccc1)CCN1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL4851435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPQGFPKHDJGNAQ-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
5.34
ALogP
5
HBA
0
HBD
52.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | 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