Compound Detail
CHEMBL3828410
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Basic Information
| ChEMBL ID | CHEMBL3828410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOQCDEYHJCYWQO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
0.83
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 6.31 | 6.31 | 492.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 5.85 | 5.85 | 1420.0 | 1 |
| Transmembrane protease serine 6 CHEMBL1795139 | Ki | 5.21 | 5.21 | 6230.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.8 | 4.8 | 15800.0 | 1 |
| Coagulation factor X CHEMBL3656 | Ki | 4.28 | 4.28 | 52300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 492.0 | nM | 6.31 | Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 m... | 27287367 |
| Trypsin | Ki | = | 1420.0 | nM | 5.85 | Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins... | 27287367 |
| Transmembrane protease serine 6 | Ki | = | 6230.0 | nM | 5.21 | Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-... | 27287367 |
| Prothrombin | Ki | = | 15800.0 | nM | 4.8 | Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 min... | 27287367 |
| Coagulation factor X | Ki | = | 52300.0 | nM | 4.28 | Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after... | 27287367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Transmembrane protease serine 6 | 2 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Trypsin | 1 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Coagulation factor X | 1 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Prothrombin | 1 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine