Compound Detail
CHEMBL1650614
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Basic Information
| ChEMBL ID | CHEMBL1650614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHVCSCWHWMSGTE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
126.1
MW (Da)
0.20
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.24 | 4.24 | 57760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 57760.0 | nM | 4.24 | Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by ... | 26073005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26073005 | 10.1016/j.bmcl.2015.05.073 | Carbonic anhydrase 1 | 2 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 21189019 | 10.1021/jm101266s | Nitric oxide synthase, inducible | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 26073005 | 10.1016/j.bmcl.2015.05.073 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine