Compound Detail
CHEMBL125021
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Basic Information
| ChEMBL ID | CHEMBL125021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPROLPQTWKDPNU-UHFFFAOYSA-N |
3
Targets
11
Activities
1
Assay Types
4
PK Parameters
12
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.93
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.53 | 4.53 | 29300.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 75.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1087.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | - | - | Homo sapiens |
| Fu | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 130.0 | nM | 6.89 | Inhibition of GYPGKF-induced human platelet aggregation | 17988878 |
| Proteinase-activated receptor 4 | IC50 | = | 130.0 | nM | 6.89 | Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pret... | 25176330 |
| Proteinase-activated receptor 4 | IC50 | = | 130.0 | nM | 6.89 | Antagonist activity PAR4 (unknown origin) | 27482618 |
| Unchecked | IC50 | = | 29300.0 | nM | 4.53 | Inhibition of platelet aggregation induced by thrombin (0.1 unit/ml) | 11606139 |
| Unchecked | IC50 | = | 29300.0 | nM | 4.53 | Inhibition of thrombin-induced platelet aggregation in human platelet-rich plasm... | 33049608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17988878 | 10.1016/j.bmc.2007.10.070 | Platelet | 6 |
| 11606139 | 10.1021/jm010001h | Unchecked | 4 |
| 17988878 | 10.1016/j.bmc.2007.10.070 | Proteinase-activated receptor 4 | 4 |
| 33049608 | 10.1016/j.ejmech.2020.112893 | Unchecked | 4 |
| 25176330 | 10.1016/j.bmcl.2014.08.021 | Plasma | 2 |
| 27482618 | 10.1021/acs.jmedchem.6b00928 | ADMET | 2 |
| 25176330 | 10.1016/j.bmcl.2014.08.021 | Proteinase-activated receptor 1 | 1 |
| 25176330 | 10.1016/j.bmcl.2014.08.021 | Proteinase-activated receptor 4 | 1 |
| 25176330 | 10.1016/j.bmcl.2014.08.021 | Homo sapiens | 1 |
| 25176330 | 10.1016/j.bmcl.2014.08.021 | Rattus norvegicus | 1 |
| 27482618 | 10.1021/acs.jmedchem.6b00928 | Proteinase-activated receptor 1 | 1 |
| 27482618 | 10.1021/acs.jmedchem.6b00928 | Proteinase-activated receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine