DICL_CP_0274549 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0274549

PubChem CID

66146

Molecular Formula

C₄H₇ClN₄O

Molecular Weight

162.031 g/mol

Synonyms/Alias

72-40-2|4-Amino-5-imidazolecarboxamide hydrochloride|5-Amino-1H-imidazole-4-carboxamide hydrochloride|5-Amino-4-imidazolecarboxamide hydrochloride|5-Aminoimidazole-4-carboxamide hydrochloride|AIC .cnt...72-40-2|4-Amino-5-imidazolecarboxamide hydrochloride|5-Amino-1H-imidazole-4-carboxamide hydrochloride|5-Amino-4-imidazolecarboxamide hydrochloride|5-Aminoimidazole-4-carboxamide hydrochloride|AIC .cntdot. HCl|1H-Imidazole-4-carboxamide; 5-amino-; monohydrochloride|4-amino-1H-imidazole-5-carboxamide hydrochloride|4-Amino-5-Imidazolecarboxamide HCl|MFCD00012704|4-amino-1H-imidazole-5-carboxamide;hydrochloride|4-Aminoimidazole-5-carboxamide hydrochoride|5-Aminoimidazol-4-carboxamide; hydrochloride|5-aminoimidazole-4-carboxamide HCl|4-aminoimidazole-5-carboxamide hydrochloride|4-amino-5-imidazole carboxamide hydrochloride|4-Amino-1H-imidazole-5-carboxamide xhydrochloride|4-Amino-5-imidazolecarboxamide; HCl|Imidazole-4-carboxamide; 5-amino-; monohydrochloride|NSC-113496|1H-Imidazole-4-carboxamide; 5-amino-; hydrochloride (1:1)|220691X0M3|5(4)-Amino-4(5)-imidazolecarboxamide Hydrochloride|5-Amino-3H-imidazole-4-carboxamide (hydrochloride)|5(4)-Amino-4(5)-(aminocarbonyl)imidazole Hydrochloride|Aminoimidazolecarboxamide hydrochloride|SMR000685800|EINECS 200-778-3|NSC 113496|Aminoimidazolecarboxamide HCl|5-Amino-1H-imidazole-4-carboxamide monohydrochloride|AI3-26819|5-Amino-4-imidazole carboxamide hydrochloride|UNII-220691X0M3|1H-Imidazole-4-carboxamide; 5-amino-; hydrochloride|AICA HCI|AICA HYDROCHLORIDE|5-Imidazolecarboxamide; 4-amino-; hydrochloride|MLS000881124|MLS000881175|SCHEMBL1775253|CHEMBL1563748|DTXSID00883234|5-aminoimidazole-4-carboxamide-hcl|BCP22933|CS-M3470|STR05396|HY-41461A|NSC113496|AKOS008069609|AKOS015960415|PS-8751|AC-11007|Imidazole-4-carboxamide; monohydrochloride|PD055898|SY018912|4-amino-5-carbamoylimidazole hydrochloride|4amino-5-imidazolecarboxamide hydrochloride|4-amino-5-carbamoyl imidazole hydrochloride|4-amino-5-imidazolecaboxamide hydrochloride|4-aminoimidazol-5-carboxamide-hydrochloride|DB-381976|A1175|NS00078908|1H-Imidazole-4-carboxamide; monohydrochloride|5-amino-imidazole-4-carboxamide hydrochloride|EN300-30324|A-5563|5-Amino-1H-imidazole-4-carboxamidehydrochloride|4-azanyl-1H-imidazole-5-carboxamide hydrochloride|5-Amino-4-imidazolecarboxamide hydrochloride; 98%|A837517|W-201870|Q27253591|F0001-1842|Z271138090|5-AMINO-IMIDAZOLE-4-CARBOXAMIDE HYDROCHLORIDE SALT|AICA; 5-Aminoimidazole-4-carboxamide hydrochloride;4-Amino-5-imidazolecarboxamide hydrochloride

InChI Key

MXCUYSMIELHIQL-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H

IUPAC Name

4-amino-1H-imidazole-5-carboxamide;hydrochloride

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

17 16 0 0 0 0 0 0 0 0999 V2000
-1.4591 1.6528 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1728 0.5076 -0.1844 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2351 -0...

Download SDF File (1514 bytes)

Experimental Data

Activity Data

Target Ion Channel

Voltage-gated inwardly rectifying potassium channel KCNH2

Uniprot Accession Number

Q12809

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

13.09770% inhibition at 1uM

Experimental Conditions

pH

pH 7.4

Holding Potential

−70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

Chinese hamster ovary (CHO) cells

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1371/journal.pone.0199348

URL

N/A (Not available)

PMID

29979714

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

10

Rotatable Bonds

1

logP

N/A

Complexity

126

TPSA (Å²)

97.8

H-Bond Donors

4

H-Bond Acceptors

3

Ring Count

1

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