Molecule

FR901228

AlkaPlorer ID: AK077839

Synonym: None

IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

Structure

SMILES: C/C=C1\N=C(O)[C@H]2CSSCC/C=C/[C@H](CC(O)=N[C@H](C(C)C)C(O)=N2)OC(=O)[C@H](C(C)C)N=C1O

InChI: InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1

InChIKey: OHRURASPPZQGQM-GCCNXGTGSA-N

Reference

FR901228, a novel antitumor bicyclic depsipeptide produced by chromobacterium violaceum No. 968. I. Taxonomy, fermentation, isolation, physico-chemical and biological properties, and antitumor activity.

PubChem CID: 5352062

CAS: 128517-07-7

LOTUS: LTS0201993

SuperNatural Ⅲ: SN0265712-05

NPASS: NPC217925

{

NPAtlas: NPA016792

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Humicola fuscoatra	Humicola	Chaetomiaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Chromobacterium violaceum	Chromobacterium	Chromobacteriaceae	Neisseriales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 540.7080000000003

TPSA？: 156.66

MolLogP？: 4.790800000000004

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A498	LC50	200.0	nM	10.1021/np200532d
Homo sapiens	A498	TGI	28.0	nM	10.1021/np200532d
Homo sapiens	A549	GI50	2.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	A549	GI50	2.6	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	Acetylcholinesterase	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	ACHN	GI50	20.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	ACHN	GI50	20.0	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	ACHN	LC50	5370.0	nM	10.1021/np200532d
Homo sapiens	ACHN	TGI	730.0	nM	10.1021/np200532d
Homo sapiens	Adenosine A3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bromodomain-containing protein 4	IC50	36.0	nM	10.1016/j.bmcl.2017.07.054
Homo sapiens	CAKI-1	LC50	20900.0	nM	10.1021/np200532d
Homo sapiens	CAKI-1	TGI	1890.0	nM	10.1021/np200532d
Homo sapiens	COLO 205	LC50	92.0	nM	10.1021/np200532d
Homo sapiens	COLO 205	T/C	50.0	%	10.1021/np200532d
Homo sapiens	COLO 205	TGI	31.0	nM	10.1021/np200532d
Homo sapiens	COLO 205	TGI	nan	None	10.1021/np200532d
Homo sapiens	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cytochrome P450 3A4	Activity	nan	None	None
Homo sapiens	DMS-114	GI50	3.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	DMS-273	GI50	5.8	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	DU-145	GI50	2.55	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	DU-145	GI50	6.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	DU-145	GI50	6.0	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	HCC 2998	GI50	3.1	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	HCT-116	GI50	3.1	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	HCT-116	GI50	3.1	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	HCT-116	IC50	28.0	nM	10.1016/j.bmc.2015.10.004
Homo sapiens	HCT-15	GI50	450.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	HCT-15	GI50	450.0	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	HERG	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histone deacetylase	IC50	3.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	Histone deacetylase	IC50	15.0	nM	10.1021/jm0703800
Homo sapiens	Histone deacetylase	IC50	107.2	nM	10.1016/j.bmcl.2008.04.007
Homo sapiens	Histone deacetylase	IC50	250.0	nM	10.1016/j.bmcl.2015.12.007
Homo sapiens	Histone deacetylase	INH	24.4	nM	10.1016/j.bmc.2011.02.024
Homo sapiens	Histone deacetylase 1	EC50	36000.0	nM	10.1021/jm034167p
Homo sapiens	Histone deacetylase 1	IC50	0.2	nM	10.1021/ml300081u
Homo sapiens	Histone deacetylase 1	IC50	0.31	nM	10.1039/c2md20024d
Homo sapiens	Histone deacetylase 1	IC50	0.8	nM	10.1021/ml500170r
Homo sapiens	Histone deacetylase 1	IC50	1.0	nM	10.1016/j.bmc.2014.06.029
Homo sapiens	Histone deacetylase 1	IC50	1.0	nM	10.1016/j.bmcl.2012.03.004
Homo sapiens	Histone deacetylase 1	IC50	3.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	Histone deacetylase 1	IC50	3.6	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	Histone deacetylase 1	IC50	3.97	nM	10.1021/jm0703800
Homo sapiens	Histone deacetylase 1	IC50	4.0	nM	10.1016/j.bmc.2015.10.004
Homo sapiens	Histone deacetylase 1	IC50	36.0	nM	10.1016/j.bmcl.2012.03.004
Homo sapiens	Histone deacetylase 1	IC50	36.0	nM	10.1021/jm0303094
Homo sapiens	Histone deacetylase 1	IC50	140.0	nM	10.1016/j.bmcl.2015.12.007
Homo sapiens	Histone deacetylase 1	IC50	280.0	nM	10.1021/jm0303094
Homo sapiens	Histone deacetylase 1	IC50	1050.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 1	Ki	0.0015	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 1	Ki	0.002	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 10	IC50	0.9	nM	10.1021/ml500170r
Homo sapiens	Histone deacetylase 10	IC50	11.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 10	Ki	nan	None	10.1021/jm4008449
Homo sapiens	Histone deacetylase 11	IC50	0.3	nM	10.1021/ml500170r
Homo sapiens	Histone deacetylase 11	IC50	10000.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 11	Ki	nan	None	10.1021/jm4008449
Homo sapiens	Histone deacetylase 1/Nuclear receptor corepressor 2	IC50	6700.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 2	IC50	1.0	nM	10.1021/ml300081u
Homo sapiens	Histone deacetylase 2	IC50	1.0	nM	10.1021/ml500170r
Homo sapiens	Histone deacetylase 2	IC50	47.0	nM	10.1021/jm0303094
Homo sapiens	Histone deacetylase 2	IC50	6070.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 2	Ki	0.038	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 2	Ki	0.038	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 2/Nuclear receptor corepressor 2	IC50	1500.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 3	IC50	1.3	nM	10.1021/ml500170r
Homo sapiens	Histone deacetylase 3	IC50	62.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 3	Ki	0.15	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 3/NCoR1	Ki	0.15	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	IC50	3.0	nM	10.1021/ml300081u
Homo sapiens	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	IC50	18.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	IC50	20.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	IC50	39.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	IC50	41.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	IC50	146.9	nM	10.1016/j.bmcl.2008.04.007
Homo sapiens	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	Ki	24.9	nM	10.1016/j.bmcl.2008.04.007
Homo sapiens	Histone deacetylase 4	IC50	510.0	nM	10.1016/j.bmcl.2012.03.004
Homo sapiens	Histone deacetylase 4	IC50	510.0	nM	10.1021/jm0303094
Homo sapiens	Histone deacetylase 4	IC50	510.0	nM	10.1021/jm034167p
Homo sapiens	Histone deacetylase 4	IC50	647.0	nM	10.1021/ml500170r
Homo sapiens	Histone deacetylase 4	IC50	8670.0	nM	10.1039/c2md20024d
Homo sapiens	Histone deacetylase 4	IC50	10000.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 4	IC50	50000.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 4	IC50	nan	None	10.1016/j.bmc.2014.06.029
Homo sapiens	Histone deacetylase 4	IC50	nan	None	10.1016/j.bmcl.2012.03.004
Homo sapiens	Histone deacetylase 4	Ki	20.5	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 4	Ki	20.5	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 5	IC50	10000.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 5	Inhibition	22.0	%	10.1021/ml500170r
Homo sapiens	Histone deacetylase 5	Ki	550.0	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 5	Ki	550.0	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 6	EC50	14000000.0	nM	10.1021/jm034167p
Homo sapiens	Histone deacetylase 6	IC50	80.0	nM	10.1016/j.bmcl.2015.12.007
Homo sapiens	Histone deacetylase 6	IC50	200.0	nM	10.1021/ml300081u
Homo sapiens	Histone deacetylase 6	IC50	281.0	nM	10.1016/j.bmc.2015.10.004
Homo sapiens	Histone deacetylase 6	IC50	620.0	nM	10.1016/j.bmcl.2012.03.004
Homo sapiens	Histone deacetylase 6	IC50	670.0	nM	10.1039/c2md20024d
Homo sapiens	Histone deacetylase 6	IC50	787.0	nM	10.1021/jm0703800
Homo sapiens	Histone deacetylase 6	IC50	1220.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 6	IC50	1595.0	nM	10.1016/j.bmcl.2008.04.007
Homo sapiens	Histone deacetylase 6	IC50	12000.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 6	IC50	14000.0	nM	10.1021/jm0303094
Homo sapiens	Histone deacetylase 6	IC50	500000.0	nM	10.1016/j.bmcl.2012.03.004
Homo sapiens	Histone deacetylase 6	Inhibition	-44.77	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	-0.74	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	45.0	%	10.1021/ml500170r
Homo sapiens	Histone deacetylase 6	Inhibition	nan	%	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 6	Ki	9.5	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 6	Ki	10.0	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 6	Ki	300.1	nM	10.1016/j.bmcl.2008.04.007
Homo sapiens	Histone deacetylase 7	IC50	10000.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 7	IC50	50000.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 7	Inhibition	34.0	%	10.1021/ml500170r
Homo sapiens	Histone deacetylase 7	Ki	1250.0	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 7	Ki	1250.0	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 8	IC50	40.0	nM	10.1016/j.bmc.2015.10.004
Homo sapiens	Histone deacetylase 8	IC50	10000.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 8	IC50	50000.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 8	Inhibition	36.0	%	10.1021/ml500170r
Homo sapiens	Histone deacetylase 8	Ki	0.15	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 8	Ki	0.15	nM	10.1038/nchembio.313
Homo sapiens	Histone deacetylase 9	IC50	10000.0	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	Histone deacetylase 9	IC50	50000.0	nM	10.1021/np200324x
Homo sapiens	Histone deacetylase 9	Inhibition	45.0	%	10.1021/ml500170r
Homo sapiens	Histone deacetylase 9	Ki	1100.0	nM	10.1021/jm4008449
Homo sapiens	Histone deacetylase 9	Ki	1100.0	nM	10.1038/nchembio.313
Homo sapiens	HT-29	GI50	3.3	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	HT-29	GI50	3.3	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	IGROV-1	IC50	220.0	nM	10.1016/j.bmc.2015.10.004
Homo sapiens	KM12	GI50	3.4	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	KM12	GI50	3.4	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	LOX IMVI	GI50	2.5	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	LOX IMVI	GI50	2.5	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	LOX IMVI	T/C	50.0	%	10.1021/np200532d
Homo sapiens	LOX IMVI	TGI	nan	None	10.1021/np200532d
Homo sapiens	MCF7	GI50	4.2	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	MCF7	GI50	4.2	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	MCF7	IC50	0.75	nM	10.1021/jm0703800
Homo sapiens	MDA-MB-231	GI50	5.5	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	MDA-MB-231	GI50	5.5	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	MDA-MB-231	LC50	4080.0	nM	10.1021/np200532d
Homo sapiens	MDA-MB-231	T/C	50.0	%	10.1021/np200532d
Homo sapiens	MDA-MB-231	TGI	350.0	nM	10.1021/np200532d
Homo sapiens	MDA-MB-231	TGI	nan	None	10.1021/np200532d
Homo sapiens	MDA-MB-435	T/C	50.0	%	10.1021/np200532d
Homo sapiens	MDA-MB-435	TGI	nan	None	10.1021/np200532d
Homo sapiens	MDA-MB-468	LC50	4140.0	nM	10.1021/np200532d
Homo sapiens	MDA-MB-468	TGI	90.0	nM	10.1021/np200532d
Homo sapiens	MKN-28	GI50	17.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	MKN-45	GI50	14.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	MKN-7	GI50	4.9	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	MKN-74	GI50	3.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	Monoamine oxidase A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Mu opioid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	NCI-H226	GI50	8.9	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	NCI-H226	GI50	8.9	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	NCI-H23	GI50	4.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	NCI-H23	GI50	4.6	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	NCI-H23	T/C	50.0	%	10.1021/np200532d
Homo sapiens	NCI-H23	TGI	nan	None	10.1021/np200532d
Homo sapiens	NCI-H322M	LC50	9020.0	nM	10.1021/np200532d
Homo sapiens	NCI-H322M	TGI	230.0	nM	10.1021/np200532d
Homo sapiens	NCI-H460	GI50	3.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	NCI-H460	GI50	3.0	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	NCI-H522	GI50	1.8	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	NCI-H522	GI50	1.8	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	NCI-H522	T/C	50.0	%	10.1021/np200532d
Homo sapiens	NCI-H522	TGI	nan	None	10.1021/np200532d
Homo sapiens	Norepinephrine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	OVCAR-3	GI50	4.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	OVCAR-3	GI50	4.6	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	OVCAR-4	GI50	20.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	OVCAR-5	GI50	2.8	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	OVCAR-5	T/C	50.0	%	10.1021/np200532d
Homo sapiens	OVCAR-5	TGI	nan	None	10.1021/np200532d
Homo sapiens	OVCAR-8	GI50	5.5	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	OVCAR-8	GI50	5.5	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	PC-3	GI50	18.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	PC-3	GI50	18.0	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	RXF 393	LC50	300.0	nM	10.1021/np200532d
Homo sapiens	RXF 393	TGI	62.0	nM	10.1021/np200532d
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	SF-268	GI50	4.9	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	SF-268	GI50	4.9	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	SF-295	GI50	4.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	SF-295	GI50	4.0	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	SF-295	LC50	10200.0	nM	10.1021/np200532d
Homo sapiens	SF-295	T/C	50.0	%	10.1021/np200532d
Homo sapiens	SF-295	TGI	250.0	nM	10.1021/np200532d
Homo sapiens	SF-295	TGI	nan	None	10.1021/np200532d
Homo sapiens	SF-539	GI50	3.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	SF-539	GI50	3.6	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	SK-OV-3	GI50	3.3	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	SK-OV-3	GI50	3.3	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	SN12C	LC50	1500.0	nM	10.1021/np200532d
Homo sapiens	SN12C	TGI	340.0	nM	10.1021/np200532d
Homo sapiens	SNB-75	GI50	7.2	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	SNB-75	GI50	7.2	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	SNB-78	GI50	9.6	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	St-4	GI50	22.0	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	St-4	GI50	22.0	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	SW-620	T/C	50.0	%	10.1021/np200532d
Homo sapiens	SW-620	TGI	nan	None	10.1021/np200532d
Homo sapiens	Thrombin	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane A2 receptor	AC50	1708.6	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	1.3	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	1.5	nM	None
Homo sapiens	U-251	GI50	3.9	nM	10.1016/j.ejmech.2012.12.023
Homo sapiens	U-251	GI50	3.9	nM	10.1016/j.ejmech.2014.02.044
Homo sapiens	U-251	LC50	130.0	nM	10.1021/np200532d
Homo sapiens	U-251	T/C	50.0	%	10.1021/np200532d
Homo sapiens	U-251	TGI	31.0	nM	10.1021/np200532d
Homo sapiens	U-251	TGI	nan	None	10.1021/np200532d
Homo sapiens	U-937	GI50	3.41	nM	10.1021/acs.jmedchem.5b01044
Homo sapiens	UACC-257	LC50	5460.0	nM	10.1021/np200532d
Homo sapiens	UACC-257	TGI	95.0	nM	10.1021/np200532d
Homo sapiens	UACC-62	T/C	50.0	%	10.1021/np200532d
Homo sapiens	UACC-62	TGI	nan	None	10.1021/np200532d
Homo sapiens	UO-31	TGI	1550.0	nM	10.1021/np200532d
Homo sapiens	Vascular endothelial growth factor receptor 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Human immunodeficiency virus 1	Human immunodeficiency virus 1	Activity	100.0	%	10.1021/np400889x
Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	3.0	nM	10.1021/np400889x
Mus musculus	Histone deacetylase 6	IC50	0.625	nM	10.1016/j.bmc.2014.06.029
Mus musculus	Histone deacetylase 6	IC50	390.0	nM	10.1016/j.ejmech.2012.12.023
Mus musculus	Histone deacetylase 6	IC50	390.0	nM	10.1016/j.ejmech.2014.02.044
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	17.9	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	-0.3756	None	10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.25	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	1.15	%	10.6019/CHEMBL4495565
None	ADMET	CL	7.4	mL.min-1.kg-1	10.1124/dmd.108.020479
None	ADMET	GI50	4.89	nM	10.1021/acs.jmedchem.5b01044
None	ADMET	GI50	5.39	nM	10.1021/acs.jmedchem.5b01044
None	ADMET	MRT	2.6	hr	10.1124/dmd.108.020479
None	ADMET	RatioGI50	0.52	None	10.1021/acs.jmedchem.5b01044
None	ADMET	T1/2	11.0	hr	10.1124/dmd.108.020479
None	ADMET	Vdss	1.2	L.kg-1	10.1124/dmd.108.020479
None	NCI	LC50	3500.0	nM	10.1021/np200532d
None	NCI	TGI	330.0	nM	10.1021/np200532d
None	NON-PROTEIN TARGET	GI50	2.06	nM	10.1021/acs.jmedchem.5b01044
None	NON-PROTEIN TARGET	GI50	2.8	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	3.0	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	3.1	nM	10.1016/j.ejmech.2012.12.023
None	NON-PROTEIN TARGET	GI50	3.2	nM	10.1016/j.ejmech.2012.12.023
None	NON-PROTEIN TARGET	GI50	3.2	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	3.6	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	4.9	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	5.8	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	6.6	nM	10.1016/j.ejmech.2012.12.023
None	NON-PROTEIN TARGET	GI50	6.6	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	6.9	nM	10.1016/j.ejmech.2012.12.023
None	NON-PROTEIN TARGET	GI50	6.9	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	8.5	nM	10.1016/j.ejmech.2012.12.023
None	NON-PROTEIN TARGET	GI50	8.5	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	9.6	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	13.0	nM	10.1016/j.ejmech.2012.12.023
None	NON-PROTEIN TARGET	GI50	13.0	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	14.0	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	17.0	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	GI50	20.0	nM	10.1016/j.ejmech.2014.02.044
None	NON-PROTEIN TARGET	IC50	3.0	nM	10.1021/ml500170r
None	NON-PROTEIN TARGET	IC50	80.0	nM	10.1016/j.bmc.2015.10.004
None	NON-PROTEIN TARGET	T/C	50.0	%	10.1021/np200532d
None	NON-PROTEIN TARGET	TGI	nan	None	10.1021/np200532d
None	Unchecked	EC1000	0.0031	umol/L	10.1016/j.bmcl.2012.03.004
None	Unchecked	EC1000	15.7	nM	10.1016/j.bmc.2014.06.029
None	Unchecked	IC50	2000.0	nM	10.1016/j.ejmech.2012.01.033
None	Unchecked	Potency	589.9	nM	None
None	Unchecked	Potency	1122.0	nM	None
None	Unchecked	Potency	3162.3	nM	None
None	Unchecked	Ratio	389.0	None	10.1021/jm0303094
None	Unchecked	Ratio IC50	80.0	None	10.1021/np200324x
None	Unchecked	Ratio IC50	108.0	None	10.1016/j.ejmech.2012.12.023
None	Unchecked	Ratio IC50	108.0	None	10.1016/j.ejmech.2014.02.044
None	Unchecked	Ratio IC50	625.0	None	10.1016/j.bmc.2014.06.029
None	Unchecked	Ratio IC50	1000.0	None	10.1039/c2md20024d