Compound Detail
CHEMBL1222942
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O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3c[nH]c(=O)c(Cl)c3)cc2)N1
Basic Information
| ChEMBL ID | CHEMBL1222942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAVNLPXQZUUFQA-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
2.53
ALogP
4
HBA
3
HBD
111.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | Ki | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 0.1 | nM | 10.0 | Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage | 20663669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20663669 | 10.1016/j.bmcl.2010.06.134 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine