Molecular Details

DICL_CP_0334537 - 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0334537

PubChem CID

60712

Molecular Formula

C₁₄H₉ClN₂O₃S

Molecular Weight

320.757 g/mol

Synonyms/Alias

[TENIDAP; 120210-48-2; CP-66248; CHEBI:35847; CP-66;248; (Z)-5-Chloro-3-(alpha-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide; 9K7CJ74ONH; CHEMBL1097558; DTXSID9046104; NCGC00160352-01; 5-chloro-2...[TENIDAP; 120210-48-2; CP-66248; CHEBI:35847; CP-66;248; (Z)-5-Chloro-3-(alpha-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide; 9K7CJ74ONH; CHEMBL1097558; DTXSID9046104; NCGC00160352-01; 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide; 1H-Indole-1-carboxamide; 5-chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-; (Z)-; DTXCID7026104; Tenidapum; 5-chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide; Tenidapum [INN-Latin]; (Z)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide; (3Z)-5-Chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide; (3Z)-5-chloro-3-[hydroxy(2-thienyl)methylidene]-2-oxo-2;3-dihydro-1H-indole-1-carboxamide; CAS-120210-48-2; UNII-9K7CJ74ONH; Tenidap [USAN:INN:BAN]; CP 66;248; (3Z)-5-chloro-3-[hydroxy(2-thienyl)methylene]-2-oxo-indoline-1-carboxamide; 1H-Indole-1-carboxamide; 5-chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-; (3Z)-; 1H-Indole-1-carboxamide; 5-chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-; (Z)-; (3Z)-5-Chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide; CP 66248; Tenidap; IL-6+Tenidap; Tenidap (USAN/INN); TENIDAP [USAN]; TENIDAP [INN]; TENIDAP [MI]; TENIDAP [WHO-DD]; C14H9N2O3SCl; SCHEMBL24922; GTPL2395; SCHEMBL1651222; SCHEMBL3751878; CHEMBL1908355; LXIKEPCNDFVJKC-UHFFFAOYSA-N; HMS3269D11; HMS3413H21; HMS3677H21; VEA21048; Tox21_111757; BDBM50331888; BDBM50472604; HB1097; AKOS000280742; AKOS030254774; Tox21_111757_1; DB13481; NCGC00167784-01; NCGC00263542-01; AC-31486; MS-24741; DB-041542; HY-105028; CS-0024729; NS00122433; D06072; G12721; SR-01000883975; J-004277; Q7699849; SR-01000883975-1; [Z]-5-Chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide; 5-chloro-2;3-dihydro-3-[hydroxy-(2-thienyl)methylene]-2-oxo-1H-indole-1-carboxamide; 5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2;3-dihydro-indole-1-carboxylic acid amide; (3Z)-5-CHLORO-3-[HYDROXY(2-THIENYL)METHYLENE]-2-OXO-2;3-DIHYDRO-1H-INDOLE-1-CARBOXAMIDE; 5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2;3-dihydro-indole-1-carboxylic acid amide(tenidap); Interleukin-6 & [Z]-5-Chloro-2;3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-1H-indole-1-carboxamide]

InChI Key

IZSFDUMVCVVWKW-UHFFFAOYSA-N

InChI

InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,...

IUPAC Name

5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide

CAS Number

120210-48-2

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

21 23 0 0 0 0 0 0 0 0999 V2000
-4.7748 0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2881 -0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1062 -1...

Download SDF File (1896 bytes)

Experimental Data

Activity Data

Target Ion Channel

Volume-regulated anion channel (outward channel)

Uniprot Accession Number

Q4V8I7

Function

Inhibitor

Species

Rattus norvegicus (Rat)

IC₅₀

IC₅₀: 31000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−65 mV mV

Temperature

37 °C

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/j.ejphar.2009.12.013

URL

N/A (Not available)

PMID

20035738

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.2196

Complexity

81.3457

TPSA (Å²)

85.32

H-Bond Donors

H-Bond Acceptors

Ring Count

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