Molecule

Tubercidin

AlkaPlorer ID: AK004033

Synonym: None

IUPAC Name: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Structure

SMILES: NC1=NC=NC2=C1C=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI: InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1

InChIKey: HDZZVAMISRMYHH-KCGFPETGSA-N

Reference

Actinopolysporins A–C and Tubercidin as a Pdcd4 Stabilizer from the Halophilic Actinomycete <i>Actinopolyspora erythraea</i> YIM 90600

PubChem CID: 6245

CAS: 69-33-0

LOTUS: LTS0265017

SuperNatural Ⅲ: SN0123036-02

NPASS: NPC125659

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Narvalina domingensis	Narvalina	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Kadsura induta	Kadsura	Schisandraceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 266.25699999999995

TPSA？: 126.65

MolLogP？: -1.3750000000000009

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus anthracis	Bacillus anthracis	IC50	nan	None	10.1128/aac.01029-10
Bos taurus	Adenosine deaminase	Ki	nan	nM	10.1021/jm00107a044
Chlorocebus sabaeus	Vero	CC50	357000.0	nM	10.1021/acs.jmedchem.9b00775
Chlorocebus sabaeus	Vero	MCC	0.1	ug.mL-1	10.1021/jm00152a007
Chlorocebus sabaeus	Vero	MCC	0.2	ug.mL-1	10.1021/jm00152a007
Chlorocebus sabaeus	Vero	MCC	0.4	ug.mL-1	10.1021/jm00125a024
Chlorocebus sabaeus	Vero	MCC	0.4	ug.mL-1	10.1021/jm00128a011
Chlorocebus sabaeus	Vero	MCC	0.4	ug.mL-1	10.1021/jm00152a007
Chlorocebus sabaeus	Vero	MCC	0.4	ug.mL-1	10.1021/jm00369a010
Chlorocebus sabaeus	Vero	MCC	0.4	ug.mL-1	10.1021/jm00389a005
Chlorocebus sabaeus	Vero	MIC	0.07	ug.mL-1	10.1021/jm00125a024
Chlorocebus sabaeus	Vero	MIC	0.1	ug.mL-1	10.1021/jm00389a005
Chlorocebus sabaeus	Vero	MIC	0.2	ug.mL-1	10.1021/jm00389a005
Chlorocebus sabaeus	Vero	MIC	0.4	ug.mL-1	10.1021/jm00389a005
Chlorocebus sabaeus	Vero	MTC	0.4	ug ml-1	10.1021/jm00386a007
Coxsackievirus B4	Coxsackievirus B4	MIC	0.07	ug.mL-1	10.1021/jm00102a010
Coxsackievirus B4	Coxsackievirus B4	MIC	0.1	ug.mL-1	10.1021/jm00128a011
Coxsackievirus B4	Coxsackievirus B4	MIC	0.2	ug.mL-1	10.1021/jm00102a010
Coxsackievirus B4	Coxsackievirus B4	MIC	0.2	ug.mL-1	10.1021/jm00369a010
Coxsackievirus B4	Coxsackievirus B4	MIC50	0.07	ug.mL-1	10.1021/jm00386a007
Cricetulus griseus	CHO-K1-BH4	Inhibition	4.0	%	10.1021/jm00012a028
Cricetulus griseus	CHO-K1-BH4	Inhibition	9.0	%	10.1021/jm00012a028
Cricetulus griseus	CHO-K1-BH4	Inhibition	10.0	%	10.1021/jm00012a028
Cricetulus griseus	CHO-K1-BH4	Inhibition	11.0	%	10.1021/jm00012a028
Cricetulus griseus	CHO-K1-BH4	Inhibition	16.0	%	10.1021/jm00012a028
Cricetulus griseus	CHO-K1-BH4	Inhibition	80.0	%	10.1021/jm00012a028
Cricetulus griseus	CHO-K1-BH4	Inhibition	92.0	%	10.1021/jm00012a028
Cricetulus griseus	CHO-K1-BH4	Inhibition	100.0	%	10.1021/jm00012a028
dengue virus type 2	dengue virus type 2	IC50	nan	None	10.1021/jm100593s
Electrophorus electricus	Acetylcholinesterase	Inhibition	4.48	%	10.1016/j.bmc.2012.09.040
Enterovirus C	Enterovirus C	IC50	30.0	nM	10.1021/jm100593s
Equus caballus	Cholinesterase	Inhibition	-12.3	%	10.1016/j.bmc.2012.09.040
Homo sapiens	A-375	IC50	43.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	A549	GI50	1.0	nM	10.1021/jm2005173
Homo sapiens	A549	IC50	44.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	Adenosine kinase	IC50	10000.0	nM	10.1021/jm000024g
Homo sapiens	Ataxin-2	Potency	3162.3	nM	None
Homo sapiens	BJ	EC50	104.0	nM	None
Homo sapiens	BJ	EC50	2082.0	nM	None
Homo sapiens	BJ	EC50	5044.0	nM	None
Homo sapiens	BJ	EC50	5450.0	nM	None
Homo sapiens	BT-549	GI50	nan	None	10.1021/jm2005173
Homo sapiens	Chromobox protein homolog 1	Potency	11220.2	nM	None
Homo sapiens	DNA polymerase iota	Potency	100000.0	nM	None
Homo sapiens	DU-145	GI50	18.0	nM	10.1021/jm2005173
Homo sapiens	DU-145	IC50	256.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	Geminin	Potency	517.4	nM	None
Homo sapiens	Geminin	Potency	651.3	nM	None
Homo sapiens	Glucagon-like peptide 1 receptor	Potency	1584.9	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	25118.9	nM	None
Homo sapiens	HCT-116	GI50	1.0	nM	10.1021/jm2005173
Homo sapiens	HCT-116	IC50	82.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	HCT-15	GI50	11.0	nM	10.1021/jm2005173
Homo sapiens	Heat shock cognate 71 kDa protein	Kd	28000.0	nM	10.1021/acs.jmedchem.5b02001
Homo sapiens	Heat shock cognate 71 kDa protein	Kd	28183.83	nM	10.1021/acs.jmedchem.5b02001
Homo sapiens	HEK293	Activity	2.5	uM	10.1021/np200603g
Homo sapiens	HeLa	MCC	0.07	ug.mL-1	10.1021/jm00152a007
Homo sapiens	HeLa	MCC	0.2	ug.mL-1	10.1021/jm00152a007
Homo sapiens	HeLa	MCC	0.4	ug.mL-1	10.1021/jm00125a024
Homo sapiens	HeLa	MCC	0.4	ug.mL-1	10.1021/jm00128a011
Homo sapiens	HeLa	MCC	0.4	ug.mL-1	10.1021/jm00369a010
Homo sapiens	HeLa	MCC	1.0	ug.mL-1	10.1021/jm00152a007
Homo sapiens	HeLa	MCC	1.0	ug.mL-1	10.1021/jm00389a005
Homo sapiens	HeLa	MIC	0.07	ug.mL-1	10.1021/jm00125a024
Homo sapiens	HeLa	MIC	0.07	ug.mL-1	10.1021/jm00128a011
Homo sapiens	HeLa	MIC	0.07	ug.mL-1	10.1021/jm00389a005
Homo sapiens	HeLa	MIC	0.2	ug.mL-1	10.1021/jm00389a005
Homo sapiens	HeLa	MIC	0.4	ug.mL-1	10.1021/jm00128a011
Homo sapiens	HeLa	MTC	0.4	ug ml-1	10.1021/jm00386a007
Homo sapiens	HEp-2	IC50	2.0	nM	10.1021/jm00370a018
Homo sapiens	HEp-2	IC50	3000.0	nM	10.1021/jm00370a018
Homo sapiens	HepG2	Potency	1000.0	nM	None
Homo sapiens	HFF	IC50	400.0	nM	10.1021/jm00076a011
Homo sapiens	HFF	IC50	400.0	nM	10.1021/jm00119a006
Homo sapiens	HFF	IC50	790.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-79 specific	Inhibition	41.0	%	10.1016/j.bmcl.2016.07.041
Homo sapiens	HL-60	ID50	1.0	M	10.1021/jm00127a011
Homo sapiens	Homo sapiens	IC50	60.0	nM	10.1021/jm00076a011
Homo sapiens	Homo sapiens	IC50	60.0	nM	10.1021/jm00081a014
Homo sapiens	Homo sapiens	MCC	0.4	ug.mL-1	10.1021/jm00128a011
Homo sapiens	Homo sapiens	Of control	0.0	%	10.1021/jm00081a014
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	651.3	nM	None
Homo sapiens	Jurkat	IC50	7830.0	nM	None
Homo sapiens	KB	IC50	1000.0	nM	10.1021/jm00081a014
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	446.7	nM	None
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	580.5	nM	None
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	819.9	nM	None
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	9200.0	nM	None
Homo sapiens	MRC5	CC50	2230.0	nM	10.1016/j.ejmech.2022.114165
Homo sapiens	MRC5	EC50	2230.0	nM	10.1016/j.ejmech.2018.12.050
Homo sapiens	MT4	GI50	21.0	nM	10.1021/jm2005173
Homo sapiens	NCI-H23	GI50	11.0	nM	10.1021/jm2005173
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	651.3	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	3662.6	nM	None
Homo sapiens	Parathyroid hormone receptor	Potency	35481.3	nM	None
Homo sapiens	PC-3	GI50	48.0	nM	10.1021/jm2005173
Homo sapiens	PC-3	IC50	76.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	Programmed cell death protein 4	IC50	880.0	nM	10.1021/np200603g
Homo sapiens	Programmed cell death protein 4	max activation	94.2	%	10.1021/np200603g
Homo sapiens	SK-OV-3	IC50	131.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	T47D	IC50	13.0	nM	10.1016/j.bmcl.2020.127635
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	20.6	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	145.8	nM	None
Homo sapiens	WI-38	MCC	0.007	ug.mL-1	10.1021/jm00152a007
Homo sapiens	WI-38	MCC	0.01	ug.mL-1	10.1021/jm00152a007
Homo sapiens	WI-38	MCC	0.4	ug.mL-1	10.1021/jm00152a007
Homo sapiens	WI-38	MCC	4.0	ug.mL-1	10.1021/jm00389a005
Homo sapiens	WI-38	MIC	0.02	ug.mL-1	10.1021/jm00389a005
Homo sapiens	WI-38	MIC	4.0	ug.mL-1	10.1021/jm00389a005
Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	0.07	ug.mL-1	10.1021/jm00369a010
Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	0.2	ug.mL-1	10.1021/jm00102a010
Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	0.4	ug.mL-1	10.1021/jm00130a024
Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC	0.4	ug.mL-1	10.1021/jm00157a016
Human alphaherpesvirus 1	Human alphaherpesvirus 1	MIC50	0.1	ug.mL-1	10.1021/jm00386a007
Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC	0.2	ug.mL-1	10.1021/jm00102a010
Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC	0.2	ug.mL-1	10.1021/jm00369a010
Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC	0.4	ug.mL-1	10.1021/jm00130a024
Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC	0.4	ug.mL-1	10.1021/jm00157a016
Human alphaherpesvirus 2	Human alphaherpesvirus 2	MIC50	0.1	ug.mL-1	10.1021/jm00386a007
Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	500.0	nM	10.1021/jm00076a011
Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	500.0	nM	10.1021/jm00081a014
Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	500.0	nM	10.1021/jm00119a006
Human betaherpesvirus 5	Human betaherpesvirus 5	IC50	500.0	nM	10.1021/jm00122a019
Human respirovirus 3	Human respirovirus 3	MIC	0.02	ug.mL-1	10.1021/jm00102a010
Human respirovirus 3	Human respirovirus 3	MIC	0.07	ug.mL-1	10.1021/jm00369a010
Human respirovirus 3	Human respirovirus 3	MIC	0.1	ug.mL-1	10.1021/jm00128a011
Human respirovirus 3	Human respirovirus 3	MIC50	0.07	ug.mL-1	10.1021/jm00386a007
Leishmania infantum	Leishmania infantum	EC50	130.0	nM	10.1016/j.ejmech.2018.12.050
Leishmania infantum	Leishmania infantum	EC50	130.0	nM	10.1016/j.ejmech.2022.114165
Mammalian orthoreovirus 1	Mammalian orthoreovirus 1	MIC	0.02	ug.mL-1	10.1021/jm00102a010
Mammalian orthoreovirus 1	Mammalian orthoreovirus 1	MIC	0.07	ug.mL-1	10.1021/jm00125a024
Mammalian orthoreovirus 1	Mammalian orthoreovirus 1	MIC	0.07	ug.mL-1	10.1021/jm00369a010
Mammalian orthoreovirus 1	Mammalian orthoreovirus 1	MIC	0.1	ug.mL-1	10.1021/jm00128a011
Mammalian orthoreovirus 1	Mammalian orthoreovirus 1	MIC50	0.04	ug.mL-1	10.1021/jm00386a007
Measles morbillivirus	Measles morbillivirus	MIC50	0.3	ug.mL-1	10.1021/jm00386a007
Mus musculus	Heat shock factor protein 1	AC50	3174.0	nM	None
Mus musculus	Heat shock factor protein 1	AC50	10488.0	nM	None
Mus musculus	Heat shock factor protein 1	EC50	3057.0	nM	None
Mus musculus	J774.A1	Activity	nan	None	10.1128/aac.01029-10
Mus musculus	L1210	Control	0.0	%	10.1021/jm00081a014
Mus musculus	L1210	IC50	0.018	ug.mL-1	10.1021/jm00370a006
Mus musculus	L1210	IC50	40.0	nM	10.1021/jm00081a014
Mus musculus	L1210	IC50	40.0	nM	10.1021/jm00122a019
Mus musculus	L1210	IC50	43.0	nM	10.1021/jm00076a011
Mus musculus	L1210	IC50	43.0	nM	10.1021/jm960631x
Mus musculus	L1210	IC50	67.7	nM	10.1021/jm00370a006
Mus musculus	L1210	ID50	0.04	ug ml-1	10.1021/jm00369a010
Mus musculus	L1210	ID50	5.4	M	10.1021/jm00127a011
Mus musculus	L1210	MIC50	0.04	ug.mL-1	10.1021/jm00386a007
Mus musculus	L1210	MIC50	0.173	ug.mL-1	10.1021/jm00386a007
Mus musculus	L1210	MIC50	0.29	ug.mL-1	10.1021/jm00386a007
Mus musculus	L1210	MIC50	5.4	ug.mL-1	10.1021/jm00386a007
Mus musculus	Macrophage	CC50	130.0	nM	10.1016/j.ejmech.2022.114165
Mus musculus	Mus musculus	grade	1.17	None	10.1021/jm00012a028
Mus musculus	Nuclear receptor ROR-gamma	Potency	631.0	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	1122.0	nM	None
Mus musculus	P388	Activity	nan	None	10.1021/np50100a023
Mus musculus	P388	ID50	3.8	M	10.1021/jm00127a011
Mus musculus	Peritoneal macrophage	Activity	nan	None	10.1016/j.ejmech.2018.12.050
Oryctolagus cuniculus	Oryctolagus cuniculus	MCC	0.4	ug.mL-1	10.1021/jm00125a024
Oryctolagus cuniculus	Oryctolagus cuniculus	MCC	0.4	ug.mL-1	10.1021/jm00157a016
Oryctolagus cuniculus	Oryctolagus cuniculus	MCC	0.4	ug.mL-1	10.1021/jm00369a010
Oryctolagus cuniculus	Oryctolagus cuniculus	MIC	0.07	ug.mL-1	10.1021/jm00389a005
Oryctolagus cuniculus	Oryctolagus cuniculus	MIC	0.2	ug.mL-1	10.1021/jm00389a005
Oryctolagus cuniculus	Oryctolagus cuniculus	MIC	0.4	ug.mL-1	10.1021/jm00389a005
Oryctolagus cuniculus	Oryctolagus cuniculus	MTC	0.4	ug ml-1	10.1021/jm00386a007
Plasmodium falciparum	Plasmodium falciparum	IC37	0.7	uM	10.1021/acs.jmedchem.9b00182
Poliovirus 1	Poliovirus 1	MIC	0.007	ug.mL-1	10.1021/jm00369a010
Poliovirus 1	Poliovirus 1	MIC	0.2	ug.mL-1	10.1021/jm00102a010
Poliovirus 1	Poliovirus 1	MIC50	0.02	ug.mL-1	10.1021/jm00386a007
Rattus norvegicus	Adenosine A1 receptor	Ki	100000.0	nM	10.1021/jm00007a014
Rattus norvegicus	Adenosine A2a receptor	Displacement	48.0	%	10.1021/jm00007a014
Rattus norvegicus	Adenosine A3 receptor	Displacement	39.0	%	10.1021/jm00007a014
Semliki Forest virus	Semliki Forest virus	MIC	0.1	ug.mL-1	10.1021/jm00102a010
Semliki Forest virus	Semliki Forest virus	MIC	0.1	ug.mL-1	10.1021/jm00128a011
Semliki Forest virus	Semliki Forest virus	MIC	0.4	ug.mL-1	10.1021/jm00125a024
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
Sindbis virus	Sindbis virus	MIC	0.1	ug.mL-1	10.1021/jm00102a010
Sindbis virus	Sindbis virus	MIC	0.1	ug.mL-1	10.1021/jm00125a024
Sindbis virus	Sindbis virus	MIC	0.2	ug.mL-1	10.1021/jm00128a011
Sindbis virus	Sindbis virus	MIC	0.2	ug.mL-1	10.1021/jm00369a010
Sindbis virus	Sindbis virus	MIC50	0.2	ug.mL-1	10.1021/jm00386a007
Trypanosoma brucei	Trypanosoma brucei	EC50	150.0	nM	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei	Trypanosoma brucei	EC50	1700.0	nM	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei	Trypanosoma brucei	EC50	2610.0	nM	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei	Trypanosoma brucei	EC50	4300.0	nM	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei	Trypanosoma brucei	Ratio EC50	11.1	None	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei	Trypanosoma brucei	Ratio EC50	17.2	None	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei	Trypanosoma brucei	Ratio EC50	28.7	None	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei brucei	Trypanosoma brucei brucei	EC50	480.0	nM	10.1016/j.ejmech.2018.12.050
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	EC50	36.0	nM	10.1016/j.ejmech.2021.113290
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	EC50	36.0	nM	10.1021/acs.jmedchem.1c00135
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	EC50	nan	None	10.1016/j.ejmech.2018.12.050
Trypanosoma congolense	Trypanosoma congolense	EC50	nan	None	10.1016/j.ejmech.2018.12.050
Trypanosoma cruzi	Trypanosoma cruzi	EC50	340.0	nM	10.1016/j.ejmech.2018.12.050
Trypanosoma cruzi	Trypanosoma cruzi	EC50	340.0	nM	10.1016/j.ejmech.2022.114165
Vaccinia virus	Vaccinia virus	MCC	0.1	ug.mL-1	10.1021/jm00130a024
Vaccinia virus	Vaccinia virus	MCC	0.4	ug.mL-1	10.1021/jm00130a024
Vaccinia virus	Vaccinia virus	MCC	1.0	ug.mL-1	10.1021/jm00130a024
Vaccinia virus	Vaccinia virus	MIC	0.02	ug.mL-1	10.1021/jm00130a024
Vaccinia virus	Vaccinia virus	MIC	0.02	ug.mL-1	10.1021/jm00369a010
Vaccinia virus	Vaccinia virus	MIC	0.07	ug.mL-1	10.1021/jm00125a024
Vaccinia virus	Vaccinia virus	MIC	0.07	ug.mL-1	10.1021/jm00130a024
Vaccinia virus	Vaccinia virus	MIC	0.07	ug.mL-1	10.1021/jm00157a016
Vaccinia virus	Vaccinia virus	MIC	0.1	ug.mL-1	10.1021/jm00102a010
Vaccinia virus	Vaccinia virus	MIC	0.1	ug.mL-1	10.1021/jm00128a011
Vaccinia virus	Vaccinia virus	MIC	0.1	ug.mL-1	10.1021/jm00130a024
Vaccinia virus	Vaccinia virus	MIC	0.2	ug.mL-1	10.1021/jm00130a024
Vaccinia virus	Vaccinia virus	MIC50	0.007	ug.mL-1	10.1021/jm00386a007
Vesicular stomatitis virus	Vesicular stomatitis virus	MIC	0.007	ug.mL-1	10.1021/jm00369a010
Vesicular stomatitis virus	Vesicular stomatitis virus	MIC	0.07	ug.mL-1	10.1021/jm00102a010
Vesicular stomatitis virus	Vesicular stomatitis virus	MIC	0.07	ug.mL-1	10.1021/jm00128a011
Vesicular stomatitis virus	Vesicular stomatitis virus	MIC	0.2	ug.mL-1	10.1021/jm00130a024
Vesicular stomatitis virus	Vesicular stomatitis virus	MIC	200.0	ug.mL-1	10.1021/jm00157a016
Vesicular stomatitis virus	Vesicular stomatitis virus	MIC50	0.01	ug.mL-1	10.1021/jm00386a007
Vesicular stomatitis virus	Vesicular stomatitis virus	MIC50	0.02	ug.mL-1	10.1021/jm00386a007
Zika virus	NS5	EC50	1300.0	nM	10.1021/acs.jmedchem.9b00775
None	ADMET	IC50	300.0	nM	10.1021/jm00122a019
None	ADMET	IC50	400.0	nM	10.1021/jm00081a014
None	ADMET	IC50	400.0	nM	10.1021/jm100593s
None	ADMET	IC50	600.0	nM	10.1021/jm00119a006
None	ADMET	IC50	700.0	nM	10.1021/jm00122a019
None	ADMET	IC50	819.0	nM	10.1021/jm100593s
None	ADMET	IC50	1000.0	nM	10.1021/jm00076a011
None	ADMET	IC50	1440.0	nM	10.1021/jm100593s
None	ADMET	ID50	5.2	M	10.1021/jm00127a011
None	ADMET	MCC	0.07	ug.mL-1	10.1021/jm00152a007
None	ADMET	MCC	0.1	ug.mL-1	10.1021/jm00152a007
None	ADMET	MCC	0.4	ug.mL-1	10.1021/jm00152a007
None	ADMET	MCC	1.0	ug.mL-1	10.1021/jm00130a024
None	ADMET	MCC	1.0	ug.mL-1	10.1021/jm00389a005
None	ADMET	MIC	0.1	ug.mL-1	10.1021/jm00125a024
None	ADMET	MIC	0.2	ug.mL-1	10.1021/jm00125a024
None	ADMET	MIC	0.4	ug.mL-1	10.1021/jm00128a011
None	ADMET	Selectivity Index	1.0	None	10.1016/j.ejmech.2022.114165
None	ADMET	Selectivity Index	6.6	None	10.1016/j.ejmech.2022.114165
None	NON-PROTEIN TARGET	AC50	91.2	nM	None
None	NON-PROTEIN TARGET	AC50	250.0	nM	None
None	NON-PROTEIN TARGET	AC50	1600.0	nM	None
None	NON-PROTEIN TARGET	Activity	nan	None	10.1016/j.bmc.2007.10.054
None	Unchecked	AC50	2770.0	nM	None
None	Unchecked	AC50	3980.0	nM	None
None	Unchecked	Activity	114.0	None	10.1016/j.bmc.2007.10.054
None	Unchecked	EC50	100.0	nM	None
None	Unchecked	EC50	204.0	nM	None
None	Unchecked	EC50	223.0	nM	None
None	Unchecked	EC50	252.0	nM	None
None	Unchecked	EC50	4118.0	nM	None
None	Unchecked	GI50	98.0	nM	10.1021/jm2005173
None	Unchecked	IC50	1010.0	nM	None
None	Unchecked	IC50	2438.0	nM	None
None	Unchecked	IC50	7420.0	nM	None
None	Unchecked	IC50	80000.0	nM	None
None	Unchecked	Ki	500.0	nM	10.1016/j.bmc.2007.10.054
None	Unchecked	Ki	3800.0	nM	10.1016/j.ejmech.2018.12.050
None	Unchecked	Ki	3800.0	nM	10.1016/j.ejmech.2019.112018
None	Unchecked	Ki	78000.0	nM	10.1016/j.ejmech.2018.12.050
None	Unchecked	Ki	78000.0	nM	10.1016/j.ejmech.2019.112018
None	Unchecked	Km	9500.0	nM	10.1016/j.bmc.2007.10.054
None	Unchecked	MPR	0.071	None	10.1021/jm00373a020
None	Unchecked	Potency	316.2	nM	None
None	Unchecked	Potency	819.9	nM	None
None	Unchecked	Potency	920.0	nM	None
None	Unchecked	Potency	1412.5	nM	None
None	Unchecked	Potency	1584.9	nM	None
None	Unchecked	Potency	1778.3	nM	None
None	Unchecked	Potency	2511.9	nM	None
None	Unchecked	Potency	9200.0	nM	None
None	Unchecked	Potency	28183.8	nM	None
None	Unchecked	Potency	35481.3	nM	None
None	Unchecked	Ratio EC50	4.6	None	10.1016/j.ejmech.2018.12.050
None	Unchecked	Ratio EC50	6.5	None	10.1016/j.ejmech.2018.12.050
None	Unchecked	Ratio EC50	nan	None	10.1016/j.ejmech.2018.12.050
None	Unchecked	Vmax	3.57	microM/min	10.1016/j.bmc.2007.10.054

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT021633	Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ccn2[C@@H]1O[C@H](C=O)[C@@H](O)[C@H]1O	enzymemap_7194
AKRT021634	Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	enzymemap_44080