Compound Detail
CHEMBL3183712
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CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]3C3CC3)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL3183712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIUDOJGZIULXOM-MQPUOXMMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
650.6
MW (Da)
4.91
ALogP
7
HBA
0
HBD
105.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.78 | 16430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16430.0 | nM | 4.78 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Data from ChEMBL 36 via Core Engine