Compound Detail
CHEMBL251958
FLAVOKAWAIN C Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL251958 |
| Name | FLAVOKAWAIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXUFMIJZNYXWDX-VMPITWQZSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.01
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.48 | 4.48 | 33110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of cobalt chloride-induced HIF-1 activation expressed in mouse NIH3T3... | 21112783 |
| NON-PROTEIN TARGET | IC50 | = | 6900.0 | nM | 5.16 | Antimelanogenic activity in mouse B16F10 cells assessed as inhibition of melanin... | 25597012 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of NF-kappaB transactivation in TNF-alpha-stimulated human K562 cells... | 24775915 |
| HeLa | IC50 | = | 19200.0 | nM | 4.72 | Cytotoxicity against human HeLa cells by MTT assay after 72 hrs | 18611049 |
| Dipeptidyl peptidase 4 | IC50 | = | 33110.0 | nM | 4.48 | Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as incre... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10820110 | 10.1021/jf990282q | Spodoptera litura | 2 |
| 25597012 | 10.1016/j.bmcl.2014.12.082 | NON-PROTEIN TARGET | 2 |
| 17896818 | 10.1021/np070286m | PANC-1 | 1 |
| 18611049 | 10.1021/np800188b | HeLa | 1 |
| 18611049 | 10.1021/np800188b | NON-PROTEIN TARGET | 1 |
| 19716299 | 10.1016/j.bmcl.2009.08.003 | Unchecked | 1 |
| 19716299 | 10.1016/j.bmcl.2009.08.003 | ADMET | 1 |
| 21112783 | 10.1016/j.bmcl.2010.10.063 | Unchecked | 1 |
| 21112783 | 10.1016/j.bmcl.2010.10.063 | ADMET | 1 |
| - | 10.1039/C0MD00245C | Dipeptidyl peptidase 4 | 1 |
| 24775915 | 10.1016/j.bmc.2014.03.046 | Nuclear factor NF-kappa-B complex | 1 |
| 25597012 | 10.1016/j.bmcl.2014.12.082 | Tyrosinase | 1 |
| 32208222 | 10.1016/j.ejmech.2020.112216 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine