Compound Detail
CHEMBL4097165
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Basic Information
| ChEMBL ID | CHEMBL4097165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INOYENJSYPDBEC-INIZCTEOSA-N |
10
Targets
11
Activities
1
Assay Types
14
PK Parameters
16
Publications
0
Known Names
Molecular Properties
381.3
MW (Da)
2.17
ALogP
4
HBA
3
HBD
100.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 8.3 | 7.75 | 5.0 | 2 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 CHEMBL2318 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.3 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 1.0 | mL.min-1.kg-1 | Macaca fascicularis |
| F | 83.0 | % | Rattus norvegicus |
| F | 74.0 | % | Canis lupus familiaris |
| F | 100.0 | % | Macaca fascicularis |
| Fu | 0.206 | - | Rattus norvegicus |
| Fu | 0.215 | - | Canis lupus familiaris |
| Fu | 0.229 | - | Macaca fascicularis |
| Fu | 0.255 | - | Homo sapiens |
| Fu | 0.557 | - | Homo sapiens |
| T1/2 | 3.8 | hr | Rattus norvegicus |
| T1/2 | 9.1 | hr | Canis lupus familiaris |
| T1/2 | 12.0 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine