Compound Detail
CHEMBL4754247
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Basic Information
| ChEMBL ID | CHEMBL4754247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOMJHEAYYYPWDO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
14
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
2.76
ALogP
6
HBA
1
HBD
86.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Coagulation factor XII CHEMBL2821 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 5.17 | 5.17 | 6762.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.03833 | hr | Homo sapiens |
| Tmax | 0.1333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 27.0 | nM | 7.57 | Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC ... | 33089691 |
| Coagulation factor XII | IC50 | = | 138.0 | nM | 6.86 | Inhibition of human coagulation factor XIIA using Boc-Gln-Gly-Arg-AMC as fluorog... | 33089691 |
| Urokinase-type plasminogen activator | IC50 | = | 6762.0 | nM | 5.17 | Inhibition of human uPA using Tos-Gly-Pro-Arg-AMC as fluorogenic substrate measu... | 33089691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Plasma | 14 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Coagulation factor XII | 6 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Blood | 3 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Prothrombin | 3 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Coagulation factor X | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Coagulation factor XI | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | HepG2 | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | CCF-STTG1 | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Urokinase-type plasminogen activator | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Plasminogen | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Plasma kallikrein | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Monoglyceride lipase | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Fatty-acid amide hydrolase 1 | 1 |
| 33089691 | 10.1021/acs.jmedchem.0c01635 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine