Compound Detail
CHEMBL5802716
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CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(F)c(Cl)c(F)c2)[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL5802716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIXRMLDHKPIARA-JVIGMCFJSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
2.28
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.72 | 7.72 | 19.0 | 2 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.51 | 7.21 | 31.0 | 2 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 19.0 | nM | 7.72 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 19.0 | nM | 7.72 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| 72 kDa type IV collagenase | IC50 | = | 31.0 | nM | 7.51 | In Vitro Assay: MMP2: Protocol 2: The basis for the assay is the cleavage of the... | - |
| Matrix metalloproteinase-14 | IC50 | = | 31.0 | nM | 7.51 | In Vitro Assay: MMP-14:The basis for the assay is the cleavage of the substrate ... | - |
| 72 kDa type IV collagenase | IC50 | = | 123.0 | nM | 6.91 | In Vitro Assay: MMP2: Protocol 2: The basis for the assay is the cleavage of the... | - |
Data from ChEMBL 36 via Core Engine