Compound Detail
CHEMBL164448
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Basic Information
| ChEMBL ID | CHEMBL164448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXSWVMKUNPKQQH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.23
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.63
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 | 5.66 | 300.0 | 2 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of HIF-1 (unknown origin) expressed in human HeLa cells after 12 hrs ... | - |
| Oryctolagus cuniculus | IC50 | = | 16000.0 | nM | 4.8 | Ability to inhibit maximum constriction of phenylephrine-treated precontracted (... | 11277519 |
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Stimulatory activity at sGC in rabbit thoracic aorta assessed as inhibition of p... | 30995566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277519 | 10.1016/s0960-894x(01)00073-7 | Oryctolagus cuniculus | 1 |
| - | 10.1039/C2MD20134H | Unchecked | 1 |
| 30995566 | 10.1016/j.ejmech.2019.04.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine