Compound Detail
CHEMBL174528
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Basic Information
| ChEMBL ID | CHEMBL174528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMUHJPGOMYFEPW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.87
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.24
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.24 | 6.24 | 580.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3.3 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 4.356 | nM | Rattus norvegicus |
| F | 2.0 | % | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 580.0 | nM | 6.24 | Activation of bovine sGC Enzyme (soluble Guanylate Cyclase) in Sf21 cells infect... | 11141091 |
| Homo sapiens | IC50 | = | 2840.0 | nM | 5.55 | Concentration required to inhibit collagen-induced platelet aggregation by 50% | 11141091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141091 | 10.1021/jm001034k | Rattus norvegicus | 3 |
| 11141091 | 10.1021/jm001034k | Unchecked | 2 |
| 11141091 | 10.1021/jm001034k | Homo sapiens | 1 |
| 11141091 | 10.1021/jm001034k | ADMET | 1 |
Data from ChEMBL 36 via Core Engine