Compound Detail
CHEMBL1162110
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Basic Information
| ChEMBL ID | CHEMBL1162110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPAJYCVUCIUYLQ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.3
MW (Da)
4.96
ALogP
4
HBA
3
HBD
104.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.02
EC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.64 | 5.64 | 2302.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.43 | 5.43 | 3719.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.02 | 5.02 | 9540.0 | 1 |
| Coagulation factor V CHEMBL3618 | IC50 | 4.85 | 4.6767 | 14070.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 2302.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3719.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Envelope glycoprotein gp160 | IC50 | = | 9540.0 | nM | 5.02 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Coagulation factor V | IC50 | = | 14070.0 | nM | 4.85 | Inhibition of human factor 5a light chain binding to immobilized phospholipid by... | 17646652 |
| Coagulation factor V | IC50 | = | 16400.0 | nM | 4.79 | Inhibition of human recombinant factor 5a C2 domain binding to immobilized phosp... | 17646652 |
| Coagulation factor V | IC50 | = | 40570.0 | nM | 4.39 | Inhibition of factor 5a-mediated prothrombin activation in human plasma by proth... | 17646652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17646652 | 10.1073/pnas.0701051104 | Coagulation factor V | 4 |
| 17646652 | 10.1073/pnas.0701051104 | Coagulation factor X | 2 |
| 17646652 | 10.1073/pnas.0701051104 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine