Compound Detail
CHEMBL2356692
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Basic Information
| ChEMBL ID | CHEMBL2356692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJKVJJYMWOCLIJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL320775 |
| Active Moiety | CHEMBL320775 |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.36
ALogP
5
HBA
2
HBD
84.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.61 | 5.8575 | 244.4 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 244.4 | nM | 6.61 | PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce... | - |
| Unchecked | IC50 | = | 342.94 | nM | 6.46 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
| Unchecked | IC50 | = | 709.9 | nM | 6.15 | PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... | - |
| Unchecked | IC50 | = | 829.9 | nM | 6.08 | PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... | - |
| Unchecked | IC50 | = | 2241.21 | nM | 5.65 | PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 3495.39 | nM | 5.46 | PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... | - |
| Unchecked | IC50 | = | 4747.0 | nM | 5.32 | PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... | - |
| Unchecked | IC50 | = | 7366.2 | nM | 5.13 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine