Compound Detail
CHEMBL6024813
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CC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cccc(-c3cn[nH]c3)c2)[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL6024813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHXLLQLBSUVNGK-LYAYERMMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.13
ALogP
5
HBA
3
HBD
110.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.13 | 6.13 | 745.0 | 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 |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 33.0 | nM | 7.48 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| 72 kDa type IV collagenase | IC50 | = | 745.0 | nM | 6.13 | 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