Compound Detail
CHEMBL5801234
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CC(=O)N1CC(C2(CC(C)C(=O)N3CCN(c4ccc(F)c(F)c4)[C@@H](C)C3)NC(=O)NC2=O)C1
Basic Information
| ChEMBL ID | CHEMBL5801234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPKJSWSNGFNSEJ-SLURRGMYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
1.08
ALogP
5
HBA
2
HBD
102.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.19 | 6.19 | 639.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 34.0 | nM | 7.47 | In Vitro Assay: ADAMTS-4:The basis for the assay is the cleavage of the substrat... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 36.0 | nM | 7.44 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| 72 kDa type IV collagenase | IC50 | = | 639.0 | nM | 6.19 | In Vitro Assay: MMP2: Protocol 2: The basis for the assay is the cleavage of the... | - |
| Matrix metalloproteinase-14 | IC50 | = | 1230.0 | nM | 5.91 | In Vitro Assay: MMP-14:The basis for the assay is the cleavage of the substrate ... | - |
Data from ChEMBL 36 via Core Engine