Compound Detail
CHEMBL3941484
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O=C(NC[C@@H](C(=O)NO)N1CCCCC1)c1ccc(OCc2ccnc(-c3ccccc3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3941484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMKOPGQRIXEHTH-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
3.42
ALogP
6
HBA
3
HBD
103.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 61.0 | nM | 7.21 | TACE Enzyme Assay: The TACE enzyme is an internal production (carried out accord... | - |
Data from ChEMBL 36 via Core Engine