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name Structure Reference Source Properties Activities Metabolism

1H-Benzimidazol-2-Amine

AlkaPlorer ID: AK024068

Synonym: None

IUPAC Name: 1H-benzimidazol-2-amine

Structure

SMILES: NC1=NC2=CC=CC=C2N1

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InChI: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)

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InChIKey: JWYUFVNJZUSCSM-UHFFFAOYSA-N

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Reference

PubChem CID: 13624

CAS: 144704-99-4

NPASS: NPC317642

COCONUT: CNP0097810

Source

Species Genus Family Order Class Phylum Kingdom Domain
Ligusticum chuanxiong Ligusticum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 133.15399999999997

TPSA？: 54.7

MolLogP？: 1.1451

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Entamoeba histolytica Entamoeba histolytica IC50 114.0 nM 10.1016/s0960-894x(02)00346-3
Entamoeba histolytica Entamoeba histolytica IC50 114.82 nM 10.1016/j.bmc.2006.10.019
Giardia intestinalis Giardia intestinalis IC50 1902.0 nM 10.1016/s0960-894x(02)00346-3
Homo sapiens 7,8-dihydro-8-oxoguanine triphosphatase IC50 44000.0 nM 10.1016/j.ejmech.2019.04.037
Homo sapiens 7,8-dihydro-8-oxoguanine triphosphatase Ka 5.58 10'4/M 10.1016/j.ejmech.2019.04.037
Homo sapiens 7,8-dihydro-8-oxoguanine triphosphatase Kd 18000.0 nM 10.1016/j.ejmech.2019.04.037
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 19952.6 nM None
Homo sapiens Amine oxidase, copper containing IC50 4100.0 nM 10.1016/j.bmc.2013.04.011
Homo sapiens Androgen Receptor Potency 28183.8 nM None
Homo sapiens Dihydrofolate reductase Inhibition nan % 10.1021/jm900414x
Homo sapiens Eyes absent homolog 2 Potency 19952.6 nM None
Homo sapiens HeLa GI 1.1 % 10.1016/j.ejmech.2020.112556
Homo sapiens Lymphoblastoid cell Potency 31622.8 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 19952.6 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 11220.2 nM None
Homo sapiens PI3-kinase p110-alpha/p85-alpha Inhibition 25.0 % 10.1016/j.bmc.2017.01.012
Homo sapiens PI3-kinase p110-alpha subunit Inhibition 25.0 % 10.1016/j.bmc.2017.01.012
Homo sapiens Retinoid X receptor alpha Potency 31622.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 6513.1 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 177.8 nM None
Homo sapiens Urokinase-type plasminogen activator IC50 200000.0 nM 10.1021/jm0002228
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Regulatory protein RhlR IC50 284800.0 nM 10.1016/j.ejmech.2022.114629
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Transcriptional activator protein lasR IC50 1400.0 nM 10.1016/j.ejmech.2022.114629
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Transcriptional activator protein lasR IC50 2300.0 nM 10.1016/j.ejmech.2022.114629
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Transcriptional activator protein lasR IC50 398800.0 nM 10.1016/j.ejmech.2022.114629
Rattus norvegicus Amine oxidase, copper containing IC50 1000.0 nM 10.1016/j.bmc.2013.04.011
Trichinella spiralis Trichinella spiralis Viability 9.0 % 10.1016/s0960-894x(02)00346-3
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Dihydrofolate reductase-thymidylate synthase Inhibition nan % 10.1021/jm900414x
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Pteridine reductase, putative Ki 288000.0 nM 10.1021/jm900414x
None ADMET CL 3.0 mL.min-1.g-1 10.6019/CHEMBL3301361
None No relevant target pKa 7.5 None 10.1016/j.bmcl.2014.05.088
None No relevant target pKa 7.5 None 10.1021/jm0002228
None No relevant target pKa_B1 7.2 None 10.6019/CHEMBL3301361
None Nucleic Acid IC50 11000000.0 nM 10.1016/j.bmcl.2014.11.004
None Unchecked Ki 228000.0 nM 10.1021/jm400362b

Metabolism Information