Compound Detail
CHEMBL512693
NEOBAVAISOFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL512693 |
| Name | NEOBAVAISOFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBGPEBYHGIUFBN-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.38
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.6 | 4.9733 | 2500.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.205 | 4200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2500.0 | nM | 5.6 | Antiplatelet activity against rabbit platelet assessed as inhibition of platelet... | 8759164 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of SARS-CoV N-terminal 6His-tagged TEV-fused papain-like protease exp... | 32845145 |
| NON-PROTEIN TARGET | IC50 | = | 7800.0 | nM | 5.11 | Antiplatelet activity against rabbit platelet assessed as inhibition of arachido... | 8759164 |
| Unchecked | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of melanin synthesis in NHEM after 24 hrs by liquid scintillation | 19102656 |
| NON-PROTEIN TARGET | IC50 | = | 62400.0 | nM | 4.21 | Antiplatelet activity against rabbit platelet assessed as inhibition of collagen... | 8759164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3069957 | 10.1021/np50060a006 | Salmonella typhimurium | 14 |
| 8759164 | 10.1021/np960157y | NON-PROTEIN TARGET | 4 |
| 31980363 | 10.1016/j.bmc.2019.115279 | SU.86.86 | 2 |
| 36651644 | 10.1021/acs.jnatprod.2c00843 | Replicase polyprotein 1ab | 2 |
| 9544566 | 10.1021/np970488q | DNA topoisomerase 2-alpha | 1 |
| 7964799 | 10.1021/np50110a008 | Staphylococcus aureus | 1 |
| 7964799 | 10.1021/np50110a008 | Aspergillus fumigatus | 1 |
| 7964799 | 10.1021/np50110a008 | Cryptococcus neoformans | 1 |
| 19102656 | 10.1021/np800535g | Unchecked | 1 |
| 19102656 | 10.1021/np800535g | ADMET | 1 |
| 25710081 | 10.1021/np500834d | Unchecked | 1 |
| 25710081 | 10.1021/np500834d | K562 | 1 |
| 25710081 | 10.1021/np500834d | A549 | 1 |
| 25710081 | 10.1021/np500834d | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 32845145 | 10.1021/acs.jmedchem.0c00626 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine