Compound Detail
CHEMBL1608318
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Basic Information
| ChEMBL ID | CHEMBL1608318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEMNHTMAEPPCQS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.4
MW (Da)
6.10
ALogP
4
HBA
0
HBD
33.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.73 | 4.695 | 18795.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 18795.0 | nM | 4.73 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
| Unchecked | IC50 | = | 22111.0 | nM | 4.66 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine