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Thiourea

AlkaPlorer ID: AK316050

Synonym: Thiocarbamide, Thiocarbonic diamide

IUPAC Name: thiourea

Structure

SMILES: N=C(N)S

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InChI: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)

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InChIKey: UMGDCJDMYOKAJW-UHFFFAOYSA-N

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Reference

PubChem CID: 2723790

CAS: 62-56-6

SuperNatural Ⅲ: SN0374148

NPASS: NPC162045

Properties Information

Molecule Weight: 76.124

TPSA？: 49.870000000000005

MolLogP？: -0.1903299999999997

Number of H-Donors: 3

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canavalia ensiformis Urease IC10 21.0 uM 10.1016/j.ejmech.2010.08.034
Canavalia ensiformis Urease IC50 51.62 ug.mL-1 10.1016/j.ejmech.2013.06.045
Canavalia ensiformis Urease IC50 51.62 ug.mL-1 10.1016/j.ejmech.2013.07.040
Canavalia ensiformis Urease IC50 560.0 nM 10.1016/j.bmcl.2017.05.019
Canavalia ensiformis Urease IC50 18195.0 nM 10.1016/j.ejmech.2022.114273
Canavalia ensiformis Urease IC50 19460.0 nM 10.1016/j.bmc.2015.10.017
Canavalia ensiformis Urease IC50 20800.0 nM 10.1016/j.bmc.2019.115123
Canavalia ensiformis Urease IC50 21000.0 nM 10.1007/s00044-011-9804-0
Canavalia ensiformis Urease IC50 21000.0 nM 10.1007/s00044-013-0575-7
Canavalia ensiformis Urease IC50 21000.0 nM 10.1016/j.bmc.2015.05.038
Canavalia ensiformis Urease IC50 21000.0 nM 10.1016/j.bmcl.2015.05.069
Canavalia ensiformis Urease IC50 21000.0 nM 10.1016/j.ejmech.2011.09.009
Canavalia ensiformis Urease IC50 21000.0 nM 10.1016/j.ejmech.2014.01.001
Canavalia ensiformis Urease IC50 21000.0 nM 10.1016/j.ejmech.2022.114273
Canavalia ensiformis Urease IC50 21000.0 nM 10.1039/d2md00076h
Canavalia ensiformis Urease IC50 21000.0 nM None
Canavalia ensiformis Urease IC50 21250.0 nM 10.1016/j.bmc.2017.11.028
Canavalia ensiformis Urease IC50 21250.0 nM 10.1016/j.ejmech.2015.08.011
Canavalia ensiformis Urease IC50 21500.0 nM 10.1016/j.ejmech.2014.09.098
Canavalia ensiformis Urease IC50 21740.0 nM 10.1016/j.ejmech.2022.114273
Canavalia ensiformis Urease IC50 22300.0 nM 10.1016/j.bmc.2016.07.042
Canavalia ensiformis Urease IC50 22300.0 nM 10.1016/j.ejmech.2013.10.012
Canavalia ensiformis Urease IC50 22300.0 nM 10.1039/C5MD00529A
Canavalia ensiformis Urease Inhibition 8.0 % 10.1007/s00044-010-9491-2
Canavalia ensiformis Urease Inhibition 15.0 % 10.1007/s00044-010-9491-2
Canavalia ensiformis Urease Inhibition 21.0 % 10.1007/s00044-010-9491-2
Canavalia ensiformis Urease Inhibition 88.7 % 10.1016/j.ejmech.2015.08.011
Canavalia ensiformis Urease Inhibition 92.2 % 10.1016/j.ejmech.2013.06.045
Canavalia ensiformis Urease Inhibition 92.2 % 10.1016/j.ejmech.2013.07.040
Canavalia ensiformis Urease Inhibition 94.0 % 10.1007/s00044-010-9491-2
Canavalia ensiformis Urease Inhibition 97.1 % 10.1007/s00044-013-0575-7
Canavalia ensiformis Urease Inhibition 98.0 % 10.1016/j.bmc.2019.115123
Canavalia ensiformis Urease Inhibition 99.0 % 10.1007/s00044-013-0575-7
Canavalia ensiformis Urease Inhibition 100.0 % 10.1016/j.ejmech.2013.07.040
Canavalia ensiformis Urease Ki 19600.0 nM 10.1016/j.ejmech.2011.09.009
Canavalia ensiformis Urease Ki 20010.0 nM 10.1016/j.ejmech.2014.01.001
Canavalia ensiformis Urease Ki 20010.0 nM None
Canavalia ensiformis Urease Ki 23000.0 nM 10.1007/s00044-012-0376-4
Equus caballus Alcohol dehydrogenase Ki 42000000.0 nM 10.1021/jm00360a024
Escherichia coli Escherichia coli Inhibition 93.8 % 10.1016/s0960-894x(98)00585-x
Escherichia coli Escherichia coli MIC 150000000.0 nM 10.1128/aac.01087-08
Escherichia coli Escherichia coli MIC 200000000.0 nM 10.1128/aac.01087-08
Helicobacter pylori Urease IC50 21110.0 nM 10.1016/j.bmc.2018.06.005
Helicobacter pylori Urease Inhibition 98.12 % 10.1016/j.bmc.2018.06.005
Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) Urease subunit alpha/Urease subunit beta IC50 23000.0 nM 10.1016/j.ejmech.2022.114273
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 47443.6 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 44668.4 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 74978.0 nM None
Homo sapiens Serine-protein kinase ATM IC50 200.0 nM 10.1073/pnas.0708800104
Homo sapiens Serine-protein kinase ATM Potency 2238.7 nM None
Homo sapiens Serine-protein kinase ATR IC50 200.0 nM 10.1073/pnas.0708800104
Homo sapiens Thyroid stimulating hormone receptor Potency 398.1 nM None
Mus musculus Mus musculus IC50 1200000.0 nM 10.1016/j.bmcl.2004.01.032
Poliovirus 1 Poliovirus 1 Inhibition zone 26.0 mM 10.1021/jm00183a016
Poliovirus 1 Poliovirus 1 Toxicity zone 22.0 mM 10.1021/jm00183a016
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 21.08 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.03 % 10.6019/CHEMBL4495565
None NON-PROTEIN TARGET Antiviral effect nan None 10.1021/jm00183a016
None No relevant target LogP -1.06 None 10.1021/jm00381a013
None No relevant target LogP 0.09 None 10.1021/jm00217a007
None No relevant target Log Pmic 0.48 None 10.1021/jm960068i
None No relevant target pKa -1.2 None 10.1021/jm00217a007
None No relevant target pKa 21.1 None 10.1016/j.bmc.2012.05.073
None No relevant target Retention_time 0.728 min 10.1016/j.bmc.2014.05.019
None Unchecked IC50 20040.0 nM 10.1016/j.bmc.2020.115759
None Unchecked IC50 20900.0 nM 10.1016/j.ejmech.2021.113537
None Unchecked IC50 21000.0 nM 10.1016/j.bmc.2014.05.057
None Unchecked IC50 21000.0 nM 10.1016/j.ejmech.2017.12.089
None Unchecked IC50 21100.0 nM 10.1016/j.bmc.2020.115759
None Unchecked IC50 21250.0 nM 10.1016/j.bmc.2018.05.042
None Unchecked IC50 25000.0 nM 10.1007/s00044-011-9762-6
None Unchecked IC50 50105.0 nM 10.1007/s00044-011-9745-7
None Unchecked IC50 nan None 10.1016/j.ejmech.2015.08.011
None Unchecked Inhibition 8.09 % 10.1007/s00044-011-9745-7
None Unchecked Inhibition 8.16 % 10.1007/s00044-011-9745-7
None Unchecked Inhibition 14.54 % 10.1007/s00044-011-9745-7
None Unchecked Inhibition 20.92 % 10.1007/s00044-011-9745-7
None Unchecked Inhibition 94.33 % 10.1007/s00044-011-9745-7
None Unchecked Inhibition nan % 10.1016/j.ejmech.2015.08.011

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017467 NC(N)=S>>NC(N)=S=O enzymemap_12630