Compound Detail
CHEMBL465704
PROFLAVINE HEMISULFATE Enter ChEMBL ID:
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Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL465704 |
| Name | PROFLAVINE HEMISULFATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YADYXCVYLIKQJX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL55400 |
| Active Moiety | CHEMBL55400 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
2.55
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.87 | 5.37 | 1342.6 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 830.0 | nM | 6.08 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| Unchecked | IC50 | = | 1342.6 | nM | 5.87 | PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 2468.9 | nM | 5.61 | PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... | - |
| Unchecked | IC50 | = | 3439.7 | nM | 5.46 | PubChem BioAssay. Increased HeLa cells in S-phase-IC50. (Class of assay: confi... | - |
| Unchecked | IC50 | = | 5986.8 | nM | 5.22 | PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... | - |
| Unchecked | IC50 | = | 20622.11 | nM | 4.69 | PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 18258438 | 10.1016/j.bmc.2008.01.026 | DNA | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine