Compound Detail
CHEMBL1880983
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Basic Information
| ChEMBL ID | CHEMBL1880983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHIPXVSGXGIRHO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.75
ALogP
10
HBA
0
HBD
89.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.48 | 4.48 | 32803.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.25 | 4.25 | 56329.0 | 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 | = | 32803.0 | nM | 4.48 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| Unchecked | IC50 | = | 56329.0 | nM | 4.25 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Data from ChEMBL 36 via Core Engine