Compound Detail
CHEMBL82783
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Basic Information
| ChEMBL ID | CHEMBL82783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVEJQZRUPDCJKK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
1.40
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.54
Ki 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
| Meprin A subunit beta CHEMBL4105879 | IC50 | 4.46 | 4.46 | 34950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | Ki | = | 104.0 | nM | 6.98 | Inhibition activity against recombinant human stromelysin (Matrix metalloproteas... | 9258358 |
| Bone morphogenetic protein 1 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of PCP after 1 hr by fluorescence assay | 23134659 |
| Meprin A subunit beta | IC50 | = | 34950.0 | nM | 4.46 | Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK... | 28408220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871508 | 10.1016/s0960-894x(98)00142-5 | Macrophage metalloelastase | 1 |
| 9258358 | 10.1021/jm960871c | Stromelysin-1 | 1 |
| 23134659 | 10.1016/j.bmcl.2012.10.067 | Bone morphogenetic protein 1 | 1 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Meprin A subunit beta | 1 |
Data from ChEMBL 36 via Core Engine