Compound Detail
CHEMBL5851474
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Basic Information
| ChEMBL ID | CHEMBL5851474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAOGEQKWDJUKEX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
2.81
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.17 | 6.17 | 674.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 5.69 | 5.69 | 2060.0 | 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 | = | 91.0 | nM | 7.04 | In Vitro Assay: ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of ... | - |
| Unchecked | IC50 | = | 102.0 | nM | 6.99 | In Vitro Assay: ADAMTS-4:The basis for the assay is the cleavage of the substrat... | - |
| 72 kDa type IV collagenase | IC50 | = | 674.0 | nM | 6.17 | In Vitro Assay: MMP2: Protocol 2: The basis for the assay is the cleavage of the... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 1780.0 | nM | 5.75 | In Vitro Assay: TACE:The basis for the assay is the cleavage of the substrate 5F... | - |
| Collagenase 3 | IC50 | = | 2060.0 | nM | 5.69 | In Vitro Assay: MMP-13:The basis for the assay is the cleavage of the substrate ... | - |
Data from ChEMBL 36 via Core Engine