Details of the Drug

General Information of Drug (ID: DMNXR17)

Drug Name

HMR1883

Synonyms

Clamikalant; Clamikalant [INN]; 158751-64-5; UNII-94301K998R; CHEMBL12531; HMR-1883; 94301K998R; 1-((5-(2-(5-Chloro-o-anisamido)ethyl)-2-methoxyphenyl)sulfonyl)-3-methyl-2-thiourea; HMR1883; AC1MI3H0; SCHEMBL726268; DTXSID30166522; VXTKXGKPBOLHRY-UHFFFAOYSA-N; ZINC599915; BDBM50099573; AKOS027339538; API0011065; NCGC00386636-01; AS-44931; LS-26123; SR-01000945051; SR-01000945051-1; 5-chloro-2-methoxy-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

472

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C19H22ClN3O5S2
IUPAC Name: 5-chloro-2-methoxy-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]benzamide
Canonical SMILES: CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC)OC
InChI: InChI=1S/C19H22ClN3O5S2/c1-21-19(29)23-30(25,26)17-10-12(4-6-16(17)28-3)8-9-22-18(24)14-11-13(20)5-7-15(14)27-2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H2,21,23,29)
InChIKey: VXTKXGKPBOLHRY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3037766
CAS Number: 158751-64-5
TTD ID: D03EBZ
VARIDT ID: DR00829

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clamikalant (Aventis). IDrugs. 2000 Nov;3(11):1353-7.