Compound Detail
CHEMBL1650630
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Basic Information
| ChEMBL ID | CHEMBL1650630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQGMRVWUTCYCST-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
153.1
MW (Da)
0.67
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 3.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 3.41 | 3.41 | 389000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 389000.0 | nM | 3.41 | Inhibition of human recombinant MMP2 after 30 mins | 21189019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Unchecked | 4 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 2 |
| 21189019 | 10.1021/jm101266s | Nitric oxide synthase, inducible | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Arginase-1 | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Methionine aminopeptidase 2 | 1 |
| 38056303 | 10.1016/j.ejmech.2023.115997 | HT-1080 | 1 |
| 38056303 | 10.1016/j.ejmech.2023.115997 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine