Compound Detail
CHEMBL41862
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Basic Information
| ChEMBL ID | CHEMBL41862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKGIPJKYFKQJFD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
3.40
ALogP
5
HBA
2
HBD
105.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | Ki | 4.14 | 4.14 | 72000.0 | 1 |
| Trypsin-2 CHEMBL3159 | Ki | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 320.0 | nM | 6.5 | Compound was tested in vitro for its ability to inhibit serine protease thrombin... | 9873397 |
| Coagulation factor X | Ki | = | 29000.0 | nM | 4.54 | Compound was tested in vitro for its ability to inhibit serine protease factor X... | 9873397 |
| Chymotrypsin-C | Ki | = | 72000.0 | nM | 4.14 | Compound was tested in vitro for its ability to inhibit serine protease chymotry... | 9873397 |
| Trypsin-2 | Ki | = | 74000.0 | nM | 4.13 | Compound was tested in vitro for its ability to inhibit serine protease trypsin ... | 9873397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873397 | 10.1016/s0960-894x(98)00290-x | Prothrombin | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Coagulation factor X | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Plasminogen | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Urokinase-type plasminogen activator | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Trypsin-2 | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Chymotrypsin-C | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine