Compound Detail
CHEMBL2440437
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Basic Information
| ChEMBL ID | CHEMBL2440437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEZSYIYQVUYORL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
292.1
MW (Da)
0.61
ALogP
4
HBA
5
HBD
150.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of APMA-activated recombinant human MMP2 using Mca-Pro-Leu-Gly-Leu-Dp... | 24071448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24071448 | 10.1016/j.bmc.2013.08.054 | HepG2 | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | NON-PROTEIN TARGET | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Hydroxyapatite | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Matrix metalloproteinase-14 | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Matrix metalloproteinase-9 | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | Neutrophil collagenase | 1 |
| 24071448 | 10.1016/j.bmc.2013.08.054 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine