Compound Detail
CHEMBL269019
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL269019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCXJWFMVFQBLSC-MRXNPFEDSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
1.08
ALogP
6
HBA
2
HBD
116.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 9.15 | 9.15 | 0.7 | 2 |
| Collagenase 3 CHEMBL4944 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.33 | 6.33 | 465.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 6.11 | 6.11 | 776.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 0.7 | nM | 9.15 | Inhibition of human Matrix metalloprotease-2 | 11327577 |
| 72 kDa type IV collagenase | IC50 | = | 0.7079 | nM | 9.15 | Inhibition of MMP2 | 17275314 |
| Collagenase 3 | IC50 | = | 0.75 | nM | 9.12 | Inhibition of Matrix metalloprotease-13 | 11327577 |
| Neutrophil collagenase | IC50 | = | 2.8 | nM | 8.55 | Inhibition of Matrix metalloprotease-8 | 11327577 |
| Matrix metalloproteinase-9 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of Matrix metalloprotease-9 | 11327577 |
| Stromelysin-1 | IC50 | = | 3.5 | nM | 8.46 | Inhibition of Matrix metalloprotease-3 | 11327577 |
| Interstitial collagenase | IC50 | = | 465.0 | nM | 6.33 | Inhibition of human Matrix metalloprotease-1 | 11327577 |
| Matrilysin | IC50 | = | 776.0 | nM | 6.11 | 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