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Guanidine

AlkaPlorer ID: AK299691

Synonym: Carbamidine, Iminourea, Aminoformamidine, Aminomethanamidine, Carbamamidine

IUPAC Name: guanidine

Structure

SMILES: N=C(N)N

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InChI: InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)

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InChIKey: ZRALSGWEFCBTJO-UHFFFAOYSA-N

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Reference

PubChem CID: 3520

CAS: 113-00-8

SuperNatural Ⅲ: SN0477998

NPASS: NPC20535

Source

Species Genus Family Order Class Phylum Kingdom Domain
Bubalus bubalis Bubalus Bovidae Artiodactyla Mammalia Chordata Metazoa Eukaryota
Grindelia havardii Grindelia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phellodendron chinense Phellodendron Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Astragalus oxyphysus Astragalus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polyscias scutellaria Polyscias Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cuscuta reflexa Cuscuta Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plantago depressa Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Centaurea glastifolia Centaurea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nephelium maingayi Nephelium Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Galanthus nivalis Galanthus Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hydrodictyon reticulatum Hydrodictyon Hydrodictyaceae Sphaeropleales Chlorophyceae Chlorophyta Viridiplantae Eukaryota
Prunus dulcis Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Senecio candollei Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pyrus pyraster Pyrus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 59.072

TPSA？: 75.89

MolLogP？: -1.1614300000000002

Number of H-Donors: 3

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canis lupus familiaris Canis familiaris Concentration 0.2 % kg dose g-1 10.1021/jm00368a008
Chlorocebus sabaeus Vero Cell viability 1.41 None 10.1016/s0960-894x(99)00429-1
Chlorocebus sabaeus Vero Cell viability 1.45 None 10.1016/s0960-894x(99)00429-1
Chlorocebus sabaeus Vero Cytotoxicity 825.7 None 10.1016/s0960-894x(99)00429-1
Chlorocebus sabaeus Vero Cytotoxicity 839.4 None 10.1016/s0960-894x(99)00429-1
Chlorocebus sabaeus Vero ED50 125.0 uM 10.1021/jm00083a017
Coxsackievirus B5 Coxsackievirus B5 TCID50 10000.0 ml-1 10.1016/s0960-894x(99)00429-1
Coxsackievirus B5 Coxsackievirus B5 TCID50 1000000.0 ml-1 10.1016/s0960-894x(99)00429-1
enterovirus D68 enterovirus D68 EC50 219400.0 nM 10.1021/acs.jmedchem.9b00115
Homo sapiens Histone deacetylase 6 Inhibition 1.38 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 8.35 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens RD CC50 300000.0 nM 10.1021/acs.jmedchem.9b00115
Homo sapiens Solute carrier family 22 member 2 Activity nan None 10.1097/01.asn.0000019413.78751.46
Homo sapiens Solute carrier family 22 member 3 IC50 2200000.0 nM 10.1016/j.bmcl.2017.08.008
Homo sapiens Solute carrier family 22 member 3 Ki 6201000.0 nM 10.1152/ajprenal.2000.279.3.f449
Homo sapiens Solute carrier family 22 member 4 Activity 89.6 % None
Homo sapiens Solute carrier family 22 member 5 Activity nan None 10.1006/bbrc.1998.8669
Homo sapiens Solute carrier family 22 member 5 Activity nan None None
Homo sapiens Solute carrier family 22 member 8 Activity nan None 10.1124/mol.59.5.1277
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 106.55 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 100.02 % 10.1124/mol.112.084152
Human rhinovirus sp. Human rhinovirus sp. MIC50 6.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 7.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 64.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 109.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 350.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 375.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 438.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 500.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 750.0 ug.mL-1 10.1021/jm00106a039
Human rhinovirus sp. Human rhinovirus sp. MIC50 1000.0 ug.mL-1 10.1021/jm00106a039
Mus musculus Solute carrier family 22 member 3 Activity nan None 10.1152/ajprenal.2000.279.3.f449
Mus musculus Solute carrier family 22 member 3 Inhibition nan % 10.1152/ajprenal.2000.279.3.f449
Mus musculus Solute carrier family 22 member 5 Activity nan None 10.1124/mol.59.2.358
Rattus norvegicus Solute carrier family 22 member 1 Activity nan None 10.1074/jbc.272.26.16548
Rattus norvegicus Solute carrier family 22 member 1 IC50 4470000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 1 Ki 724200.0 nM None
Rattus norvegicus Solute carrier family 22 member 1 Km 1660000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 2 IC50 171000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 2 Ki 280000.0 nM 10.1124/mol.56.1.1
Rattus norvegicus Solute carrier family 22 member 2 Ki 713600.0 nM None
Rattus norvegicus Solute carrier family 22 member 2 Km 172000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 2 Km 730000.0 nM 10.1124/mol.56.1.1
Rattus norvegicus Solute carrier family 22 member 3 Activity nan None 10.1074/jbc.273.26.15971
Rattus norvegicus Solute carrier family 22 member 5 Activity nan None None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2278 None 10.1101/2020.04.21.054387
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
None ADMET Ratio 1.4 None 10.1021/jm00368a008
None No relevant target pKa 12.5 None 10.1021/jm800841w
None No relevant target pKa 12.6 None 10.1016/s0960-894x(01)00644-8
None No relevant target pKa 13.5 None 10.1016/s0960-894x(01)00027-0
None No relevant target pKa 13.6 None 10.1021/jm00217a007
None Unchecked Ratio CC50/EC50 1.4 None 10.1021/acs.jmedchem.9b00115

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015844 N=C(N)N>>N=C(N)NP(=O)(O)O enzymemap_47758
AKRT015845 N=C(N)N>>NC(N)=O enzymemap_78949
AKRT016083 N=C(N)NCCC[C@H](N)C(=O)O>>N=C(N)N RXN-13396
AKRT016243 N=C(N)NCC[C@H](O)[C@H](N)C(=O)O>>N=C(N)N RXN-12536
AKRT017463 NC(N)=O>>N=C(N)N MNXR172444