Fanchinin
AlkaPlorer ID: AK002058
Synonym: None
IUPAC Name: (1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C(C=C(OC)C(=C3)OC3=C4C(=CC(OC)=C3OC)CCN(C)[C@H]4C2)CCN1C
InChI: InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
InChIKey: WVTKBKWTSCPRNU-KYJUHHDHSA-N
Reference
PubChem CID: 73078
CAS: 23495-89-8
LOTUS: LTS0139880
SuperNatural Ⅲ: SN0421318-02
NPASS: NPC115284
data_source: manually
Source
Properties Information
Molecule Weight: 622.7620000000001
TPSA?: 61.860000000000014
MolLogP?: 7.162400000000009
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC80 | 64.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b01203 |
| Chlorocebus sabaeus | Vero | CC50 | 14920.0 | nM | 10.1101/2020.03.20.999730 |
| Chlorocebus sabaeus | Vero C1008 | CC50 | 5170.0 | nM | 10.6019/CHEMBL4651402 |
| Chlorocebus sabaeus | Vero C1008 | CC50 | 33000.0 | nM | 10.6019/CHEMBL4495565 |
| Chlorocebus sabaeus | Vero C1008 | pCC50 | 5.29 | None | 10.6019/CHEMBL4651402 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 15.48 | % | 10.1016/j.bmc.2012.09.040 |
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 10.51 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 25.16 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Equus caballus | Cholinesterase | Inhibition | -1.1 | % | 10.1016/j.bmc.2012.09.040 |
| Homo sapiens | 786-0 | GI50 | 3054.92 | nM | None |
| Homo sapiens | 786-0 | GI50 | 43451.02 | nM | None |
| Homo sapiens | A498 | GI50 | 7328.25 | nM | None |
| Homo sapiens | A498 | GI50 | 60534.09 | nM | None |
| Homo sapiens | A549 | GI50 | 7194.49 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A673 | GI50 | 4000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | A673 | LC50 | 8900.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | A673 | TGI | 6000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | ACHN | GI50 | 7925.01 | nM | None |
| Homo sapiens | ACHN | GI50 | 17139.57 | nM | None |
| Homo sapiens | Alpha-galactosidase A | Potency | 891.3 | nM | None |
| Homo sapiens | Arachidonate 15-lipoxygenase, type II | Potency | 12589.3 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 25118.9 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 16353.5 | nM | None |
| Homo sapiens | BT-549 | GI50 | 7726.81 | nM | None |
| Homo sapiens | BT-549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 3515.6 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | Activity | nan | None | 10.1016/j.ejmech.2020.112810 |
| Homo sapiens | CCRF-CEM | GI50 | 3539.97 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 33036.95 | nM | None |
| Homo sapiens | CCRF-CEM | IC50 | 15800.0 | nM | 10.1016/j.ejmech.2020.112810 |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 31622.8 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 2118.36 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 9289.66 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 7362.07 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 6309.57 | nM | None |
| Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G | Potency | 23715.0 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | DU-145 | GI50 | 7870.46 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ECa-109 cell line | Activity | 0.15 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 0.54 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 3.68 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 8.01 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 13.1 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 18.8 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 67.5 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 87.1 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | Activity | 88.2 | % | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | FC | 232.6 | None | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | IC50 | 29.37 | nM | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | ECa-109 cell line | IC50 | 29.4 | nM | 10.1021/acs.jmedchem.2c02061 |
| Homo sapiens | EKVX | GI50 | 9594.01 | nM | None |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 58.0 | nM | None |
| Homo sapiens | Geminin | Potency | 6513.1 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 7079.5 | nM | None |
| Homo sapiens | HCC1806 | GI50 | 5100.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC1806 | LC50 | 15000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC1806 | TGI | 8500.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC1937 | GI50 | 4200.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC1937 | LC50 | 21000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC1937 | TGI | 10000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC 2998 | GI50 | 1710.02 | nM | None |
| Homo sapiens | HCC70 | GI50 | 3400.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC70 | LC50 | 11000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCC70 | TGI | 5900.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | HCT-116 | GI50 | 4497.8 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 50466.13 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 7780.37 | nM | None |
| Homo sapiens | HEK-293T | CC50 | 1000.0 | nM | 10.1021/acs.jnatprod.3c00159 |
| Homo sapiens | HEL | IC50 | 7450.0 | nM | 10.1039/C8MD00125A |
| Homo sapiens | HEL | IC50 | 16780.0 | nM | 10.1016/j.ejmech.2017.11.007 |
| Homo sapiens | HEL | IC50 | 19740.0 | nM | 10.1016/j.ejmech.2019.111898 |
| Homo sapiens | HepaRG | Activity | nan | None | 10.1016/j.ejmech.2020.112810 |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1016/j.ejmech.2020.112810 |
| Homo sapiens | HepG2 | IC50 | 6820.0 | nM | 10.1016/j.bmcl.2016.12.029 |
| Homo sapiens | HepG2 | IC50 relative | 1400.0 | nM | 10.6019/EOS300108 |
| Homo sapiens | HepG2 | Potency | 8912.5 | nM | None |
| Homo sapiens | HepG2 | Potency | 28183.8 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -4.06 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 3.75 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | HL-60 | GI50 | 7798.3 | nM | None |
| Homo sapiens | HL-60 | GI50 | 99540.54 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 9418.9 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 5942.92 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 1794.73 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 57147.86 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 8629.79 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 30060.76 | nM | None |
| Homo sapiens | HT-29 | GI50 | 2999.16 | nM | None |
| Homo sapiens | HT-29 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HUVEC | Activity | nan | None | 10.1016/j.ejmech.2020.112810 |
| Homo sapiens | HUVEC | EC50 | nan | None | 10.1016/j.bmcl.2010.07.090 |
| Homo sapiens | IGROV-1 | GI50 | 9204.5 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 49203.95 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 5804.8 | nM | None |
| Homo sapiens | K562 | GI50 | 1566.75 | nM | None |
| Homo sapiens | K562 | GI50 | 41209.75 | nM | None |
| Homo sapiens | K562 | IC50 | 6430.0 | nM | 10.1016/j.ejmech.2019.111898 |
| Homo sapiens | K562 | IC50 | 11760.0 | nM | 10.1039/C8MD00125A |
| Homo sapiens | K562 | IC50 | 13810.0 | nM | 10.1016/j.ejmech.2017.11.007 |
| Homo sapiens | KB | ED50 | 5800.0 | nM | 10.1021/np980144f |
| Homo sapiens | KM12 | GI50 | 6698.85 | nM | None |
| Homo sapiens | KM12 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 3801.89 | nM | None |
| Homo sapiens | L02 | IC50 | 44250.0 | nM | 10.1039/C8MD00125A |
| Homo sapiens | LOX IMVI | GI50 | 3296.1 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 100000.0 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 50118.7 | nM | None |
| Homo sapiens | M14 | GI50 | 260.02 | nM | None |
| Homo sapiens | M14 | GI50 | 26181.83 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 8241.38 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 9749.9 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 100000.0 | nM | None |
| Homo sapiens | MCF7 | GI50 | 6426.88 | nM | None |
| Homo sapiens | MCF7 | GI50 | 82035.15 | nM | None |
| Homo sapiens | MCF7 | IC50 | 8620.0 | nM | 10.1016/j.bmcl.2016.12.029 |
| Homo sapiens | MCF7 | IC50 | 19580.0 | nM | 10.1016/j.ejmech.2019.111898 |
| Homo sapiens | MDA-MB-231 | GI50 | 5000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | MDA-MB-231 | GI50 | 5636.38 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 19769.7 | nM | None |
| Homo sapiens | MDA-MB-231 | IC50 | 8940.0 | nM | 10.1039/C8MD00125A |
| Homo sapiens | MDA-MB-231 | IC50 | 18450.0 | nM | 10.1016/j.ejmech.2019.111898 |
| Homo sapiens | MDA-MB-231 | IC50 | 21970.0 | nM | 10.1016/j.ejmech.2017.11.007 |
| Homo sapiens | MDA-MB-231 | LC50 | 12000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | MDA-MB-231 | TGI | 7400.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | MDA-MB-435 | GI50 | 1874.99 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-453 | GI50 | 3300.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | MDA-MB-453 | LC50 | 7100.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | MDA-MB-453 | TGI | 4800.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | MDA-N | GI50 | 5382.7 | nM | None |
| Homo sapiens | MDA-N | GI50 | 100000.0 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 23280.9 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 4698.94 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 19952.6 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 35481.3 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 5308.84 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 9705.1 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 8433.35 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 77446.18 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 8090.96 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 6714.29 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 6606.93 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 34753.62 | nM | None |
| Homo sapiens | Niemann-Pick C1 protein | Inhibition | nan | % | 10.1021/acs.jmedchem.8b00035 |
| Homo sapiens | OVCAR-3 | GI50 | 7464.49 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 2421.03 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 9036.49 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 8375.29 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 53703.18 | nM | None |
| Homo sapiens | Panel NCI-60 (60 carcinoma cell lines) | GI50 | 10.0 | nM | 10.1021/jm049838d |
| Homo sapiens | PC-3 | GI50 | 8147.04 | nM | None |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | PC-3 | IC50 | 5860.0 | nM | 10.1039/C8MD00125A |
| Homo sapiens | PC-3 | IC50 | 7870.0 | nM | 10.1016/j.ejmech.2017.11.007 |
| Homo sapiens | P-glycoprotein 1 | Activity | 2.5 | fold | 10.1097/00001813-199803000-00008 |
| Homo sapiens | P-glycoprotein 1 | Activity | nan | None | 10.1007/s00280-003-0742-5 |
| Homo sapiens | P-glycoprotein 1 | Inhibition | nan | % | 10.1016/j.bmc.2020.115553 |
| Homo sapiens | PLC-PRF-5 | IC50 | 18460.0 | nM | 10.1016/j.ejmech.2017.01.008 |
| Homo sapiens | RPMI-8226 | GI50 | 4436.09 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 5081.59 | nM | None |
| Homo sapiens | SF-268 | GI50 | 8053.78 | nM | None |
| Homo sapiens | SF-268 | GI50 | 74644.88 | nM | None |
| Homo sapiens | SF-295 | GI50 | 8933.05 | nM | None |
| Homo sapiens | SF-295 | GI50 | 36224.3 | nM | None |
| Homo sapiens | SF-539 | GI50 | 4775.29 | nM | None |
| Homo sapiens | SF-539 | GI50 | 20137.24 | nM | None |
| Homo sapiens | SJRH30 | GI50 | 3000.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | SJRH30 | LC50 | 6100.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | SJRH30 | TGI | 4300.0 | nM | 10.1021/acs.jnatprod.0c00946 |
| Homo sapiens | SK-MEL-2 | GI50 | 7568.33 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 8147.04 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 6095.37 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 57279.6 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 5902.01 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 45814.19 | nM | None |
| Homo sapiens | SN12C | GI50 | 8203.52 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12K1 | GI50 | 7063.18 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 6606.93 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 17378.01 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 6546.36 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 43151.91 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 9440.61 | nM | None |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 75.74 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 220.23 | % | 10.1124/mol.112.084152 |
| Homo sapiens | SR | GI50 | 2471.72 | nM | None |
| Homo sapiens | SR | GI50 | 12050.36 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 14125.4 | nM | None |
| Homo sapiens | SW-620 | GI50 | 7345.14 | nM | None |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | T47D | GI50 | 9527.96 | nM | None |
| Homo sapiens | T47D | GI50 | 100000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 8413.95 | nM | None |
| Homo sapiens | TK-10 | GI50 | 22908.68 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 707.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 2237.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 2592.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 4463.7 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 5011.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 5173.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 6683.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 8414.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 11220.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 56234.1 | nM | None |
| Homo sapiens | U-251 | GI50 | 7655.97 | nM | None |
| Homo sapiens | U-251 | GI50 | 35727.28 | nM | None |
| Homo sapiens | U-937 | Activity | 69.0 | % | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | FC | 0.9 | None | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | IC50 | 50000.0 | nM | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | MED | 50.0 | uM | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | UACC-257 | GI50 | 5794.29 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 43052.66 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 3899.42 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 4931.74 | nM | None |
| Homo sapiens | UO-31 | GI50 | 100000.0 | nM | None |
| Homo sapiens | XF498 | GI50 | 10641.43 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 22387.2 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 35481.3 | nM | None |
| Mus musculus | P388 | ED50 | 0.4 | ug ml-1 | 10.1021/np50091a004 |
| Mus musculus | P388 | GI50 | 1774.19 | nM | None |
| Mus musculus | P388/ADR | GI50 | 3054.92 | nM | None |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 0.25 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 160.0 | ng/ml | 10.1021/np50091a004 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 179.0 | ng/ml | 10.1021/np50091a004 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 257.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 288.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2078.7 | nM | None |
| Rattus norvegicus | Adrenergic receptor alpha-1 | Ki | 691.83 | nM | 10.1021/np030022+ |
| Rattus norvegicus | Aorta | IC50 | 13489.63 | nM | 10.1021/np030022+ |
| Rattus norvegicus | Aorta | IC50 | 29512.09 | nM | 10.1021/np030022+ |
| Rattus norvegicus | Muscarinic acetylcholine receptor | Ki | 73.0 | nM | 10.1021/np50075a001 |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 35481.3 | nM | None |
| Rattus norvegicus | Voltage-gated L-type calcium channel | Ki | 741.31 | nM | 10.1021/np030022+ |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 3.743 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Activity | nan | None | 10.1021/acs.jnatprod.3c00159 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | EC50 | 1100.0 | nM | 10.1101/2020.04.16.044016 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 284.0 | nM | 10.1021/acs.jnatprod.3c00159 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 3000.0 | nM | 10.1101/2020.03.20.999730 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 3980.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 3981.07 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 11660.0 | nM | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 50100.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 50118.72 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 1.81 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 9.46 | % | 10.21203/rs.3.rs-23951/v1 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6.0 | ug.mL-1 | 10.1016/j.bmc.2019.07.023 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmc.2019.07.023 |
| None | ADMET | LC50 | 5010.0 | nM | 10.1016/j.bmc.2013.09.022 |
| None | ADMET | permeability | nan | None | 10.1021/acs.jnatprod.3c00159 |
| None | ADMET | Selectivity index | 2.83 | None | 10.6019/CHEMBL4495565 |
| None | ADMET | Selectivity index | 4.97 | None | 10.1101/2020.03.20.999730 |
| None | Fibroblast | Activity | nan | None | 10.1021/acs.jmedchem.8b00035 |
| None | Hepatotoxicity | Hepatotoxicity | nan | None | 10.1021/tx900326k |
| None | NON-PROTEIN TARGET | ED50 | 2.1 | ug ml-1 | 10.1021/np50091a004 |
| None | NON-PROTEIN TARGET | ED50 | 3.7 | ug ml-1 | 10.1021/np50091a004 |
| None | NON-PROTEIN TARGET | IC50 | 1480.0 | nM | 10.1016/j.bmcl.2010.07.090 |
| None | No relevant target | solubility | 14.6 | 10^-3mg/ml | 10.1021/acs.jmedchem.2c02061 |
| None | Unchecked | Activity | nan | None | 10.1016/j.ejmech.2020.112810 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jmedchem.8b00035 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.3c00159 |
| None | Unchecked | EC50 | 2150.0 | nM | 10.1016/j.bmc.2013.09.022 |
| None | Unchecked | IC50 | 2000.0 | nM | 10.1016/j.ejmech.2019.05.027 |
| None | Unchecked | IC50 | 2160.0 | nM | 10.1021/acs.jmedchem.8b00035 |
| None | Unchecked | IC50 | 6100.0 | nM | 10.1039/C8MD00125A |
| None | Unchecked | IC50 | 10980.0 | nM | 10.1016/j.ejmech.2017.11.007 |
| None | Unchecked | IC50 | 15010.0 | nM | 10.1016/j.ejmech.2017.01.008 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.ejmech.2020.112810 |
| None | Unchecked | Potency | 1258.9 | nM | None |
| None | Unchecked | Potency | 2511.9 | nM | None |
| None | Unchecked | Potency | 3548.1 | nM | None |
| None | Unchecked | Potency | 6513.1 | nM | None |
| None | Unchecked | Potency | 7079.5 | nM | None |
| None | Unchecked | Potency | 8912.5 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |
| None | Unchecked | Potency | 14581.0 | nM | None |
| None | Unchecked | Potency | 19952.6 | nM | None |
| None | Unchecked | Potency | 22387.2 | nM | None |
| None | Unchecked | Ratio | 2.33 | None | 10.1016/j.bmc.2013.09.022 |
| None | Unchecked | Selectivity Index | 20.0 | None | 10.1021/np980144f |
| None | Unchecked | Selectivity Index | 22.0 | None | 10.1021/acs.jmedchem.8b00035 |
| None | Unchecked | Selectivity Index | 22.0 | None | 10.1021/np980144f |
