Compound Detail
CHEMBL6060037
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Basic Information
| ChEMBL ID | CHEMBL6060037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXDVOTQQRPPFNY-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.9
MW (Da)
2.50
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.36 | 7.015 | 44.0 | 2 |
| Collagenase 3 CHEMBL280 | IC50 | 7.12 | 6.61 | 76.4 | 2 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 44.0 | nM | 7.36 | In Vitro Assay: MMP2: Protocol 1: The basis for the assay is the cleavage of the... | - |
| Collagenase 3 | IC50 | = | 76.4 | nM | 7.12 | In Vitro Assay: MMP-13(2): The basis for the assay is the cleavage of the substr... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 78.0 | nM | 7.11 | In Vitro Assay: ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of ... | - |
| Unchecked | IC50 | = | 101.0 | nM | 7.0 | In Vitro Assay: ADAMTS-4:The basis for the assay is the cleavage of the substrat... | - |
| 72 kDa type IV collagenase | IC50 | = | 212.0 | nM | 6.67 | In Vitro Assay: MMP2: Protocol 2: The basis for the assay is the cleavage of the... | - |
| Collagenase 3 | IC50 | = | 794.0 | nM | 6.1 | In Vitro Assay: MMP-13:The basis for the assay is the cleavage of the substrate ... | - |
Data from ChEMBL 36 via Core Engine