Compound Detail
CHEMBL3947795
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C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3947795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSVNNLRZCJAYTQ-ZLGUVYLKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.4
MW (Da)
4.04
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase D1 CHEMBL2536 | IC50 | 8.43 | 8.125 | 3.7 | 2 |
| Phospholipase D2 CHEMBL2734 | IC50 | 5.96 | 5.575 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase D1 | IC50 | = | 3.7 | nM | 8.43 | Cell-Based Assay: The ability of representative disclosed to block influenza inf... | - |
| Phospholipase D1 | IC50 | = | 15.0 | nM | 7.82 | In Vitro Activity Assay: In vitro PLD activity is measured with an exogenous sub... | - |
| Phospholipase D2 | IC50 | = | 1100.0 | nM | 5.96 | In Vitro Activity Assay: In vitro PLD activity is measured with an exogenous sub... | - |
| Phospholipase D2 | IC50 | = | 6400.0 | nM | 5.19 | Cell-Based Assay: The ability of representative disclosed to block influenza inf... | - |
Data from ChEMBL 36 via Core Engine