Compound Detail
CHEMBL353759
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Basic Information
| ChEMBL ID | CHEMBL353759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATOAHNRJAXSBOR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
20
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.54
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 304.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 45.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 101.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 177.2 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.635 | hr | Homo sapiens |
| T1/2 | 0.4083 | hr | Rattus norvegicus |
| T1/2 | 0.5133 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 304.0 | nM | 6.52 | Activation of rabbit sGC assessed as induction of preconstricted aortic ring rel... | 33314936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| 37870434 | 10.1021/acs.jmedchem.3c01365 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 6 |
| 37870434 | 10.1021/acs.jmedchem.3c01365 | ADMET | 6 |
| - | 10.6019/CHEMBL5303304 | U2OS | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| 11277519 | 10.1016/s0960-894x(01)00073-7 | Oryctolagus cuniculus | 1 |
| 33314936 | 10.1021/acs.jmedchem.0c01093 | Unchecked | 1 |
| 34106718 | 10.1021/acs.jnatprod.1c00337 | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine