Compound Detail
CHEMBL5435708
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Basic Information
| ChEMBL ID | CHEMBL5435708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXCLKWXVGTXVLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
4.41
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL4651286 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 60.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | IC50 | = | 840.0 | nM | 6.08 | Vasorelaxant activity in New Zealand White rabbits aortic rings assessed as redu... | 37040336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37040336 | 10.1021/acs.jmedchem.2c02082 | Soluble guanylate cyclase alpha1/beta1 complex | 2 |
| 37040336 | 10.1021/acs.jmedchem.2c02082 | ADMET | 1 |
| 37040336 | 10.1021/acs.jmedchem.2c02082 | Unchecked | 1 |
| 37040336 | 10.1021/acs.jmedchem.2c02082 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine