Neplanocin A

AlkaPlorer ID: AK011116

Synonym: None

IUPAC Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol

Structure

SMILES: NC1=NC=NC2=C1N=CN2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O

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InChI: InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1

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InChIKey: XUGWUUDOWNZAGW-VDAHYXPESA-N

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Properties Information

Molecule Weight: 263.257

TPSA: 130.31

MolLogP: -1.3963000000000003

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Adenosine deaminase Compound remaining 0.0 % 10.1021/jm00080a018
Bos taurus Adenosine deaminase Compound remaining 5.0 % 10.1021/jm00080a018
Bos taurus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Canis lupus familiaris MDCK IC50 20.0 ug.mL-1 10.1021/jm00080a018
Canis lupus familiaris MDCK MIC 20.0 ug.mL-1 10.1021/jm00096a012
Canis lupus familiaris MDCK MIC50 0.3 ug.mL-1 10.1021/jm00006a023
Canis lupus familiaris MDCK MIC50 1.0 ug.mL-1 10.1021/jm00035a020
Canis lupus familiaris MDCK MIC50 1.2 ug.mL-1 10.1021/jm00030a014
Canis lupus familiaris MDCK MIC50 2.8 ug.mL-1 10.1021/jm00030a014
Canis lupus familiaris MDCK MIC50 3.0 ug.mL-1 10.1021/jm00035a020
Canis lupus familiaris MDCK MIC50 4.0 ug.mL-1 10.1021/jm00006a023
Chlorocebus sabaeus Vero CC50 0.5 ug.mL-1 10.1021/jm950853f
Chlorocebus sabaeus Vero CC50 2.0 ug.mL-1 10.1021/jm950853f
Chlorocebus sabaeus Vero CC50 4.0 ug.mL-1 10.1021/jm950853f
Chlorocebus sabaeus Vero CC50 10.0 ug.mL-1 10.1021/jm950853f
Chlorocebus sabaeus Vero CC50 152.0 ug.mL-1 10.1021/jm950853f
Chlorocebus sabaeus Vero EC50 0.03 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero EC50 0.14 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero EC50 0.21 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero EC50 100.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero ED50 0.24 ug ml-1 10.1016/S0960-894X(01)80163-3
Chlorocebus sabaeus Vero IC50 0.2 ug.mL-1 10.1021/jm00080a018
Chlorocebus sabaeus Vero IC50 0.21 ug.mL-1 10.1021/jm00080a018
Chlorocebus sabaeus Vero IC50 0.26 ug.mL-1 10.1016/S0960-894X(01)80163-3
Chlorocebus sabaeus Vero IC50 0.4 ug.mL-1 10.1021/jm00080a018
Chlorocebus sabaeus Vero IC50 0.5 ug.mL-1 10.1021/jm960145+
Chlorocebus sabaeus Vero IC50 0.7 ug.mL-1 10.1021/jm960145+
Chlorocebus sabaeus Vero IC50 0.74 ug.mL-1 10.1021/jm950853f
Chlorocebus sabaeus Vero IC50 1.0 ug.mL-1 10.1021/jm950853f
Chlorocebus sabaeus Vero IC50 1.5 ug.mL-1 10.1021/jm960145+
Chlorocebus sabaeus Vero IC50 2.0 ug.mL-1 10.1021/jm960145+
Chlorocebus sabaeus Vero IC50 4.3 ug.mL-1 10.1021/jm00080a018
Chlorocebus sabaeus Vero IC50 7.0 ug.mL-1 10.1021/jm960145+
Chlorocebus sabaeus Vero IC50 10.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero IC50 10.0 ug.mL-1 10.1021/jm00080a018
Chlorocebus sabaeus Vero IC50 20.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero IC50 40.0 ug.mL-1 10.1021/jm00080a018
Chlorocebus sabaeus Vero IC50 40.0 ug.mL-1 10.1021/jm960145+
Chlorocebus sabaeus Vero IC50 50.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero IC50 57.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero IC50 100.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
Chlorocebus sabaeus Vero IC50 152.0 ug.mL-1 10.1016/S0960-894X(01)80163-3
Chlorocebus sabaeus Vero IC50 155.0 ug.mL-1 10.1021/jm960145+
Chlorocebus sabaeus Vero IC50 3500.0 nM 10.1021/jm010256v
Chlorocebus sabaeus Vero IC50 580000.0 nM 10.1021/jm010374i
Chlorocebus sabaeus Vero MIC 0.2 ug.mL-1 10.1021/jm00096a012
Chlorocebus sabaeus Vero MIC 0.4 ug.mL-1 10.1021/jm00096a012
Chlorocebus sabaeus Vero MIC 40.0 ug.mL-1 10.1021/jm00096a012
Chlorocebus sabaeus Vero MIC50 0.2 ug.mL-1 10.1021/jm00006a023
Chlorocebus sabaeus Vero MIC50 0.2 ug.mL-1 10.1021/jm00035a020
Chlorocebus sabaeus Vero MIC50 0.4 ug.mL-1 10.1021/jm00030a014
Chlorocebus sabaeus Vero MIC50 0.7 ug.mL-1 10.1021/jm00006a023
Chlorocebus sabaeus Vero MIC50 0.7 ug.mL-1 10.1021/jm00030a014
Chlorocebus sabaeus Vero MIC50 0.7 ug.mL-1 10.1021/jm00035a020
Chlorocebus sabaeus Vero MIC50 1.0 ug.mL-1 10.1021/jm00006a023
Chlorocebus sabaeus Vero MIC50 1.0 ug.mL-1 10.1021/jm00035a020
Chlorocebus sabaeus Vero MIC50 2.0 ug.mL-1 10.1021/jm00006a023
Chlorocebus sabaeus Vero MIC50 2.0 ug.mL-1 10.1021/jm00035a020
Chlorocebus sabaeus Vero MIC50 7.0 ug.mL-1 10.1021/jm00006a023
Chlorocebus sabaeus Vero MIC50 7.0 ug.mL-1 10.1021/jm00035a020
Chlorocebus sabaeus Vero MIC50 10.0 ug.mL-1 10.1021/jm00030a014
Chlorocebus sabaeus Vero MIC50 40.0 ug.mL-1 10.1021/jm00006a023
Cowpox virus Cowpox virus EC50 8400.0 nM 10.1016/j.bmc.2006.10.043
Cowpox virus Cowpox virus IC50 300000.0 nM 10.1016/j.bmc.2006.10.043
Homo sapiens A549 IC50 1220.0 nM 10.1021/acs.jmedchem.5b00553
Homo sapiens A549 IC50 2160.0 nM 10.1016/j.ejmech.2018.06.003
Homo sapiens Adenosylhomocysteinase Activity 0.0 % 10.1021/jm00398a002
Homo sapiens Adenosylhomocysteinase Activity nan None 10.1021/jm1010836
Homo sapiens Adenosylhomocysteinase Activity remaining 0.0 % 10.1021/jm025557z
Homo sapiens Adenosylhomocysteinase Activity remaining 97.0 % 10.1021/jm025557z
Homo sapiens Adenosylhomocysteinase Activity remaining 98.0 % 10.1021/jm025557z
Homo sapiens Adenosylhomocysteinase Activity remaining 99.0 % 10.1021/jm025557z
Homo sapiens Adenosylhomocysteinase Activity remaining 100.0 % 10.1021/jm025557z
Homo sapiens Adenosylhomocysteinase IC50 0.004 ug.mL-1 10.1021/jm00080a018
Homo sapiens Adenosylhomocysteinase IC50 0.004 ug.mL-1 10.1021/jm950853f
Homo sapiens Adenosylhomocysteinase IC50 1.5 nM 10.1016/j.bmcl.2014.04.034
Homo sapiens Adenosylhomocysteinase IC50 7.2 nM 10.1016/S0960-894X(01)81249-X
Homo sapiens Adenosylhomocysteinase IC50 10.0 nM 10.1016/j.bmcl.2014.04.034
Homo sapiens Adenosylhomocysteinase IC50 470.0 nM 10.1021/acs.jmedchem.5b00553
Homo sapiens Adenosylhomocysteinase IC50 870.0 nM 10.1021/jm1010836
Homo sapiens Adenosylhomocysteinase IC50 890.0 nM 10.1016/j.bmcl.2004.02.039
Homo sapiens Adenosylhomocysteinase IC50 900.0 nM 10.1016/j.bmc.2009.07.061
Homo sapiens Adenosylhomocysteinase IC50 nan nM 10.1021/jm00117a011
Homo sapiens Adenosylhomocysteinase Inhibition 0.05 % 10.1021/jm0004446
Homo sapiens Adenosylhomocysteinase Inhibition 2.61 % 10.1021/jm0004446
Homo sapiens Adenosylhomocysteinase Inhibition 7.91 % 10.1021/jm0004446
Homo sapiens Adenosylhomocysteinase Inhibition 21.83 % 10.1021/jm0004446
Homo sapiens Adenosylhomocysteinase k2 1.98 min-1 10.1021/jm00088a013
Homo sapiens Adenosylhomocysteinase Ki 3.8 nM 10.1021/jm00088a013
Homo sapiens Adenosylhomocysteinase Ki 3.8 nM 10.1021/jm00117a011
Homo sapiens Adenosylhomocysteinase Ki 3.8 nM 10.1021/jm00398a002
Homo sapiens Adenosylhomocysteinase NAD content 0.0 M (M of enzyme)-1 10.1021/jm00398a002
Homo sapiens CCRF-CEM IC50 1.12 ug.mL-1 10.1021/jm960145+
Homo sapiens CCRF-CEM IC50 1200.0 nM 10.1021/jm010256v
Homo sapiens E6SM CC50 0.7 ug.mL-1 10.1021/jm950853f
Homo sapiens E6SM CC50 7.0 ug.mL-1 10.1021/jm950853f
Homo sapiens E6SM CC50 40.0 ug.mL-1 10.1021/jm950853f
Homo sapiens E6SM CC50 70.0 ug.mL-1 10.1021/jm950853f
Homo sapiens E6SM IC50 0.4 ug.mL-1 10.1021/jm960145+
Homo sapiens E6SM IC50 0.7 ug.mL-1 10.1021/jm960145+
Homo sapiens E6SM IC50 7.0 ug.mL-1 10.1021/jm960145+
Homo sapiens E6SM IC50 20.0 ug.mL-1 10.1021/jm960145+
Homo sapiens E6SM IC50 40.0 ug.mL-1 10.1021/jm960145+
Homo sapiens E6SM IC50 70.0 ug.mL-1 10.1021/jm960145+
Homo sapiens E6SM MIC 0.2 ug.mL-1 10.1021/jm00096a012
Homo sapiens E6SM MIC 4.0 ug.mL-1 10.1021/jm00096a012
Homo sapiens E6SM MIC 40.0 ug.mL-1 10.1021/jm00096a012
Homo sapiens E6SM MIC50 0.2 ug.mL-1 10.1021/jm00006a023
Homo sapiens E6SM MIC50 0.2 ug.mL-1 10.1021/jm00030a014
Homo sapiens E6SM MIC50 0.2 ug.mL-1 10.1021/jm00035a020
Homo sapiens E6SM MIC50 2.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens E6SM MIC50 2.0 ug.mL-1 10.1021/jm00030a014
Homo sapiens E6SM MIC50 2.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens E6SM MIC50 20.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens E6SM MIC50 20.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens E6SM MIC50 70.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens E6SM MIC50 70.0 ug.mL-1 10.1021/jm00030a014
Homo sapiens E6SM MIC50 70.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens E6SM MIC50 100.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens E6SM MIC50 100.0 ug.mL-1 10.1021/jm00030a014
Homo sapiens E6SM MIC50 100.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens HCT-116 IC50 900.0 nM 10.1021/acs.jmedchem.5b00553
Homo sapiens HCT-116 IC50 1450.0 nM 10.1016/j.ejmech.2018.06.003
Homo sapiens HEL CC50 0.3 ug.mL-1 10.1021/jm950853f
Homo sapiens HEL CC50 0.4 ug.mL-1 10.1021/jm950853f
Homo sapiens HEL CC50 7.0 ug.mL-1 10.1021/jm950853f
Homo sapiens HEL CC50 9.0 ug.mL-1 10.1021/jm950853f
Homo sapiens HEL CC50 10.0 ug.mL-1 10.1021/jm950853f
Homo sapiens HEL CC50 15.0 ug.mL-1 10.1021/jm950853f
Homo sapiens HEL CC50 20.0 ug.mL-1 10.1021/jm950853f
Homo sapiens HEL IC50 0.2 ug.mL-1 10.1021/jm00080a018
Homo sapiens HEL IC50 0.3 ug.mL-1 10.1021/jm00080a018
Homo sapiens HEL IC50 0.3 ug.mL-1 10.1021/jm960145+
Homo sapiens HEL IC50 2.0 ug.mL-1 10.1021/jm00080a018
Homo sapiens HEL IC50 5.0 ug.mL-1 10.1021/jm00080a018
Homo sapiens HEL IC50 8.0 ug.mL-1 10.1021/jm00080a018
Homo sapiens HEL IC50 9.0 ug.mL-1 10.1021/jm960145+
Homo sapiens HEL IC50 10.0 ug.mL-1 10.1021/jm960145+
Homo sapiens HEL IC50 16.0 ug.mL-1 10.1021/jm00080a018
Homo sapiens HEL IC50 20.0 ug.mL-1 10.1021/jm960145+
Homo sapiens HEL MIC 0.4 ug.mL-1 10.1021/jm00096a012
Homo sapiens HEL MIC 5.0 ug.mL-1 10.1021/jm00096a012
Homo sapiens HEL MIC 8.0 ug.mL-1 10.1021/jm00096a012
Homo sapiens HEL MIC50 0.2 ug.mL-1 10.1021/jm00030a014
Homo sapiens HEL MIC50 0.4 ug.mL-1 10.1021/jm00006a023
Homo sapiens HEL MIC50 0.4 ug.mL-1 10.1021/jm00035a020
Homo sapiens HEL MIC50 0.6 ug.mL-1 10.1021/jm00006a023
Homo sapiens HEL MIC50 0.6 ug.mL-1 10.1021/jm00035a020
Homo sapiens HEL MIC50 1.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens HEL MIC50 3.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens HEL MIC50 3.5 ug.mL-1 10.1021/jm00030a014
Homo sapiens HEL MIC50 4.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens HEL MIC50 5.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens HEL MIC50 6.0 ug.mL-1 10.1021/jm00030a014
Homo sapiens HEL MIC50 6.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens HEL MIC50 20.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens HeLa CC50 2.0 ug.mL-1 10.1021/jm950853f
Homo sapiens HeLa CC50 40.0 ug.mL-1 10.1021/jm950853f
Homo sapiens HeLa IC50 0.2 ug.mL-1 10.1021/jm00080a018
Homo sapiens HeLa IC50 2.0 ug.mL-1 10.1021/jm960145+
Homo sapiens HeLa IC50 20.0 ug.mL-1 10.1021/jm00080a018
Homo sapiens HeLa IC50 40.0 ug.mL-1 10.1021/jm00080a018
Homo sapiens HeLa IC50 40.0 ug.mL-1 10.1021/jm960145+
Homo sapiens HeLa MIC 0.2 ug.mL-1 10.1021/jm00096a012
Homo sapiens HeLa MIC 10.0 ug.mL-1 10.1021/jm00096a012
Homo sapiens HeLa MIC 40.0 ug.mL-1 10.1021/jm00096a012
Homo sapiens HeLa MIC50 0.2 ug.mL-1 10.1021/jm00030a014
Homo sapiens HeLa MIC50 1.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens HeLa MIC50 2.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens HeLa MIC50 2.0 ug.mL-1 10.1021/jm00030a014
Homo sapiens HeLa MIC50 2.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens HeLa MIC50 10.0 ug.mL-1 10.1021/jm00030a014
Homo sapiens HeLa MIC50 40.0 ug.mL-1 10.1021/jm00006a023
Homo sapiens HeLa MIC50 40.0 ug.mL-1 10.1021/jm00035a020
Homo sapiens Homo sapiens Cytotoxicity 0.0 None 10.1021/jm00105a064
Homo sapiens Homo sapiens Cytotoxicity 340.0 None 10.1021/jm00105a064
Homo sapiens Homo sapiens Cytotoxicity 400.0 None 10.1021/jm00105a064
Homo sapiens KATO III stomach cancer cell line IC50 220.0 nM 10.1021/jm010374i
Homo sapiens MCF7 IC50 25000.0 nM 10.1016/j.bmc.2015.07.045
Homo sapiens MDA-MB-231 IC50 400.0 nM 10.1021/acs.jmedchem.5b00553
Homo sapiens MDA-MB-231 IC50 860.0 nM 10.1016/j.ejmech.2018.06.003
Homo sapiens MDA-MB-231 IC50 25000.0 nM 10.1016/j.bmc.2015.07.045
Homo sapiens MOLT-4 IC50 2.34 ug.mL-1 10.1021/jm960145+
Homo sapiens MT4 IC50 0.006 ug.mL-1 10.1021/jm00080a018
Homo sapiens MT4 IC50 0.02 ug.mL-1 10.1021/jm00080a018
Homo sapiens PC-3 IC50 2140.0 nM 10.1016/j.ejmech.2018.06.003
Homo sapiens PC-3 IC50 3700.0 nM 10.1021/acs.jmedchem.5b00553
Homo sapiens PO3 Cytotoxicity 80.0 None 10.1021/jm00105a064
Homo sapiens SK-HEP1 IC50 2360.0 nM 10.1016/j.ejmech.2018.06.003
Homo sapiens SNU-638 IC50 820.0 nM 10.1016/j.ejmech.2018.06.003
Human alphaherpesvirus 1 Human alphaherpesvirus 1 Activity nan None 10.1021/jm00385a032
Human alphaherpesvirus 2 Human alphaherpesvirus 2 Activity nan None 10.1021/jm00385a032
Human alphaherpesvirus 2 Human alphaherpesvirus 2 VR 1.39 None 10.1021/jm00389a015
Human betaherpesvirus 5 Human betaherpesvirus 5 EC50 0.2 ug.mL-1 10.1016/0960-894X(95)00270-4
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 100.0 nM 10.1021/jm010256v
Human respirovirus 3 Human respirovirus 3 VR 1.6 None 10.1021/jm00389a015
Influenza A virus Influenza A virus EC50 20.0 ug.mL-1 10.1016/0960-894X(95)00270-4
Influenza B virus Influenza B virus EC50 20.0 ug.mL-1 10.1016/0960-894X(95)00270-4
Measles morbillivirus Measles morbillivirus IC50 0.1 ug.mL-1 10.1021/jm960145+
Measles morbillivirus Measles morbillivirus VR 0.75 None 10.1021/jm00389a015
Mumps orthorubulavirus Mumps virus IC50 0.11 ug.mL-1 10.1021/jm960145+
Mus musculus Adenosylhomocysteinase IC50 50.0 nM 10.1021/jm00117a011
Mus musculus Adenosylhomocysteinase Ki 3.0 nM 10.1021/jm00030a014
Mus musculus FM3A IC50 0.022 ug.mL-1 10.1021/jm960145+
Mus musculus L1210 Cytotoxicity 500.0 None 10.1021/jm00105a064
Mus musculus L1210 IC50 0.027 ug.mL-1 10.1021/jm960145+
Mus musculus L1210 ID50 1.0 M 10.1021/jm00385a032
Mus musculus L1210 Inhibition 50.0 % 10.1021/jm00385a032
Mus musculus L929 IC50 5.2 nM 10.1021/jm00030a014
Mus musculus MC-38 Cytotoxicity 0.0 None 10.1021/jm00105a064
Plasmodium berghei Plasmodium berghei Parasitemia 12.0 % 10.1021/jm010374i
Plasmodium berghei Plasmodium berghei Parasitemia 20.0 % 10.1021/jm010374i
Plasmodium berghei Plasmodium berghei Parasitemia 21.0 % 10.1021/jm010374i
Plasmodium falciparum Plasmodium falciparum IC50 200.0 nM 10.1021/jm010374i
Punta Toro virus Punta Toro virus EC50 nan None 10.1016/j.bmc.2006.10.043
Punta Toro virus Punta Toro virus IC50 nan None 10.1016/j.bmc.2006.10.043
Rattus norvegicus Adenosylhomocysteinase Ki 8.39 nM 10.1021/acs.jmedchem.9b01877
Respiratory syncytial virus Respiratory syncytial virus MIC50 1.0 ug.mL-1 10.1021/jm00035a020
Respiratory syncytial virus Respiratory syncytial virus MIC50 1.2 ug.mL-1 10.1021/jm00006a023
Respiratory syncytial virus Respiratory syncytial virus MIC50 1.2 ug.mL-1 10.1021/jm00030a014
Severe acute respiratory syndrome-related coronavirus SARS-CoV EC50 nan None 10.1016/j.bmc.2006.10.043
Severe acute respiratory syndrome-related coronavirus SARS-CoV IC50 nan None 10.1016/j.bmc.2006.10.043
Vaccinia virus Vaccinia virus IC50 80.0 nM 10.1021/jm00117a011
Vaccinia virus Vaccinia virus VR 1.38 None 10.1021/jm00389a015
Vesicular stomatitis virus Vesicular stomatitis virus Activity nan None 10.1021/jm00385a032
Vesicular stomatitis virus Vesicular stomatitis virus EC50 0.38 ug.mL-1 10.1016/0960-894X(95)00270-4
Vesicular stomatitis virus Vesicular stomatitis virus IC50 0.25 ug.mL-1 10.1021/jm960145+
West Nile virus West Nile virus EC50 51000.0 nM 10.1016/j.bmc.2006.10.043
West Nile virus West Nile virus EC50 51000.0 nM 10.1021/jm010256v
West Nile virus West Nile virus IC50 nan None 10.1016/j.bmc.2006.10.043
None ADMET IC50 40.0 ug.mL-1 10.1021/jm00080a018
None ADMET IC50 44600.0 nM 10.1021/jm010256v
None ADMET Therapeutic index 0.2 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 1.0 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 12.0 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 71.0 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 161.0 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 230.0 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 271.0 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 360.0 None 10.1016/s0960-894x(02)00841-7
None ADMET Therapeutic index 1667.0 None 10.1016/s0960-894x(02)00841-7
None ESM IC50 0.2 ug.mL-1 10.1021/jm00080a018
None ESM IC50 4.0 ug.mL-1 10.1021/jm00080a018
None ESM IC50 7.0 ug.mL-1 10.1021/jm00080a018
None ESM IC50 10.0 ug.mL-1 10.1021/jm00080a018
None ESM IC50 20.0 ug.mL-1 10.1021/jm00080a018
None ESM IC50 40.0 ug.mL-1 10.1021/jm00080a018
None NON-PROTEIN TARGET Cytotoxicity 40.0 None 10.1021/jm00105a064
None NON-PROTEIN TARGET Cytotoxicity 100.0 None 10.1021/jm00105a064
None NON-PROTEIN TARGET EC50 0.1 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET EC50 0.26 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET EC50 2.62 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET EC50 100.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET IC50 23.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET IC50 31.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET IC50 36.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET IC50 42.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET IC50 100.0 ug.mL-1 10.1016/s0960-894x(02)00841-7
None NON-PROTEIN TARGET IC50 700.0 nM 10.1021/acs.jmedchem.5b00553
None NON-PROTEIN TARGET IC50 4500.0 nM 10.1021/acs.jmedchem.5b00553
None NON-PROTEIN TARGET IC50 25000.0 nM 10.1016/j.bmc.2015.07.045
None NON-PROTEIN TARGET Selectivity index 1.1 None 10.1016/S0960-894X(01)80163-3
None NON-PROTEIN TARGET Survival 0.0 None 10.1021/jm010374i
None NON-PROTEIN TARGET Survival 5.0 None 10.1021/jm010374i
None PRK IC50 0.2 ug.mL-1 10.1021/jm00080a018
None PRK IC50 40.0 ug.mL-1 10.1021/jm00080a018
None Unchecked EC50 5.0 mg kg-1 day-1 10.1021/jm010374i
None Unchecked IC50 0.9 nM 10.1016/j.bmc.2014.07.051
None Unchecked Inhibition 30.0 % 10.1039/D1MD00167A
None Unchecked k2/KI 0.52 nM-1 min-1 10.1021/jm00088a013

Metabolism Information