Compound Detail
CHEMBL268377
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Basic Information
| ChEMBL ID | CHEMBL268377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRBWJOFRJIEWKS-CYBMUJFWSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
0.16
ALogP
6
HBA
2
HBD
116.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL4944 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.28 | 8.28 | 5.2 | 2 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.19 | 6.19 | 643.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 5.46 | 5.46 | 3460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of Matrix metalloprotease-13 | 11327577 |
| Matrix metalloproteinase-9 | IC50 | = | 4.2 | nM | 8.38 | Inhibition of Matrix metalloprotease-9 | 11327577 |
| 72 kDa type IV collagenase | IC50 | = | 5.3 | nM | 8.28 | Inhibition of human Matrix metalloprotease-2 | 11327577 |
| Stromelysin-1 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of Matrix metalloprotease-3 | 11327577 |
| 72 kDa type IV collagenase | IC50 | = | 5.248 | nM | 8.28 | Inhibition of MMP2 | 17275314 |
| Neutrophil collagenase | IC50 | = | 6.3 | nM | 8.2 | Inhibition of Matrix metalloprotease-8 | 11327577 |
| Interstitial collagenase | IC50 | = | 643.0 | nM | 6.19 | Inhibition of human Matrix metalloprotease-1 | 11327577 |
| Matrilysin | IC50 | = | 3460.0 | nM | 5.46 | Inhibition of Matrix metalloprotease-7 | 11327577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Interstitial collagenase | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | 72 kDa type IV collagenase | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Stromelysin-1 | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Matrilysin | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Neutrophil collagenase | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Matrix metalloproteinase-9 | 1 |
| 11327577 | 10.1016/s0960-894x(01)00137-8 | Collagenase 3 | 1 |
| 17275314 | 10.1016/j.bmc.2007.01.011 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine