Details of the Drug

General Information of Drug (ID: DMSCHL0)

Drug Name

S-(Dimethylarsenic)Cysteine

Synonyms

[[(S)-2-Amino-2-carboxyethyl]thio]dimethylarsenic

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

225.14

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C5H12AsNO2S
IUPAC Name: (2S)-2-amino-3-dimethylarsanylsulfanylpropanoic acid
Canonical SMILES: C[As](C)SC[C@H](C(=O)O)N
InChI: InChI=1S/C5H12AsNO2S/c1-6(2)10-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKey: UKLXSOVDMSQHMM-SCSAIBSYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytomegalovirus Protease (CMV UL80)	TT5DOVB	SCAF_HCMVA	Inhibitor	[1]
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Toll-like receptor 2 (TLR2)	TTY7ZHS	TLR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Toll-like receptor 2 (TLR2)	DTT	TLR2	1.75E-01	-0.48	-0.45

Molecular Expression Atlas (MEA)

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References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.