Compound Detail
CHEMBL1163444
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 | CHEMBL1163444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLPHDUQOZKAGHK-KRXBUXKQSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.89
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.14
EC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.36 | 5.36 | 4366.4 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.62 | 4.62 | 24060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 7.29 | nM | 8.14 | Inhibition of human recombinant MMP9 using succinylated gelatin as substrate inc... | 23375794 |
| 72 kDa type IV collagenase | IC50 | = | 8.31 | nM | 8.08 | Inhibition of human recombinant MMP2 using succinylated gelatin as substrate inc... | 23375794 |
| Interstitial collagenase | IC50 | = | 4366.42 | nM | 5.36 | Inhibition of human recombinant MMP1 using succinylated gelatin as substrate inc... | 23375794 |
| No relevant target | EC50 | = | 24060.0 | nM | 4.62 | Antioxidant activity assessed as DPPH free radical scavenging activity measured ... | 27865704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Bacillus subtilis | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Pseudomonas fluorescens | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Staphylococcus aureus | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Candida albicans | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Escherichia coli | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Aspergillus niger | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Trichophyton rubrum | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | Unchecked | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | MMP-1/MMP-2 | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | Matrix metalloproteinase-9 | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | 72 kDa type IV collagenase | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | Interstitial collagenase | 1 |
| 27865704 | 10.1016/j.bmcl.2016.10.089 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine