Compound Detail
CHEMBL5289570
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Basic Information
| ChEMBL ID | CHEMBL5289570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APCLVQAXJIHPKK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.54
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of human MMP9 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 subs... | 32224379 |
| 72 kDa type IV collagenase | IC50 | = | 1.64 | nM | 8.79 | Inhibition of human MMP2 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 subs... | 32224379 |
| Collagenase 3 | IC50 | = | 5.5 | nM | 8.26 | Inhibition of human MMP13 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 sub... | 32224379 |
| Stromelysin-1 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of human MMP3 using (7-methoxycoumarine-4-yl)-Arg-Pro-Lys-Pro-Tyr-Ala... | 32224379 |
| Interstitial collagenase | IC50 | = | 198.0 | nM | 6.7 | Inhibition of human MMP1 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 subs... | 32224379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32224379 | 10.1016/j.ejmech.2020.112260 | Matrix metalloproteinase-9 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | 72 kDa type IV collagenase | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Interstitial collagenase | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Stromelysin-1 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine