Compound Detail
CHEMBL5913647
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Basic Information
| ChEMBL ID | CHEMBL5913647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIWFUJUZQREGOZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
1.55
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.52 | 7.405 | 30.0 | 2 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29.0 | nM | 7.54 | 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 | = | 30.0 | nM | 7.52 | In Vitro Assay: ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of ... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 51.0 | nM | 7.29 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| 72 kDa type IV collagenase | IC50 | = | 1410.0 | nM | 5.85 | In Vitro Assay: MMP2: Protocol 2: The basis for the assay is the cleavage of the... | - |
Data from ChEMBL 36 via Core Engine