Compound Detail
CHEMBL5177721
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N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC[C@H]1[C@@H](O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NCCC1CC1
Basic Information
| ChEMBL ID | CHEMBL5177721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEHVMMQDNQHWED-IKIDTFQCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
853.9
MW (Da)
4.80
ALogP
7
HBA
7
HBD
210.1
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 CHEMBL1613743 | Kd | 6.51 | 6.51 | 312.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 | Kd | = | 312.0 | nM | 6.51 | Binding affinity to human N-terminal TEV cleavable 6His tagged p47phox (151-285 ... | 35707140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35707140 | 10.1021/acsmedchemlett.2c00094 | Neutrophil cytosol factor 1 | 1 |
Data from ChEMBL 36 via Core Engine