Compound Detail
CHEMBL5873958
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Basic Information
| ChEMBL ID | CHEMBL5873958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNTIMKCZICZFOB-AMMQDNIMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.38
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of MMPs: It has been observed that 50 and 100 μM concentrations of cu... | - |
Data from ChEMBL 36 via Core Engine