Compound Detail
CHEMBL434085
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Basic Information
| ChEMBL ID | CHEMBL434085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGIPRYIAGMSXTM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
4.12
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HIF-1 (unknown origin) expressed in human HeLa cells after 12 hrs ... | - |
| Oryctolagus cuniculus | IC50 | = | 15000.0 | nM | 4.82 | Ability to inhibit maximum constriction of phenylephrine-treated precontracted (... | 11277519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20134H | NON-PROTEIN TARGET | 21 |
| - | 10.1039/C2MD20134H | Mus musculus | 2 |
| - | 10.1039/C2MD20134H | HT-29 | 1 |
| - | 10.1039/C2MD20134H | PC-3 | 1 |
| - | 10.1039/C2MD20134H | St-4 | 1 |
| - | 10.1039/C2MD20134H | ACHN | 1 |
| - | 10.1039/C2MD20134H | SK-OV-3 | 1 |
| - | 10.1039/C2MD20134H | A549 | 1 |
| - | 10.1039/C2MD20134H | NCI-H460 | 1 |
| - | 10.1039/C2MD20134H | NCI-H522 | 1 |
| - | 10.1039/C2MD20134H | NCI-H226 | 1 |
| - | 10.1039/C2MD20134H | NCI-H23 | 1 |
| - | 10.1039/C2MD20134H | HCT-116 | 1 |
| 11277519 | 10.1016/s0960-894x(01)00073-7 | Oryctolagus cuniculus | 1 |
| - | 10.1039/C2MD20134H | KM12 | 1 |
| - | 10.1039/C2MD20134H | SNB-75 | 1 |
| - | 10.1039/C2MD20134H | SF-268 | 1 |
| - | 10.1039/C2MD20134H | U-251 | 1 |
| - | 10.1039/C2MD20134H | MDA-MB-231 | 1 |
| - | 10.1039/C2MD20134H | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine