Details of the Drug

General Information of Drug (ID: DMK4XLD)

Drug Name

Cacodylate Ion

Synonyms

Dimethylarsinate; Arsinic acid, dimethyl-, ion(1-); Bolate; Bolls; 15132-04-4; Dimethylarsonic Acid; rad-e-cat 25; Cacodylate ions; Cacodylic acid, free acid; Kakodylat; DMAV; Dimethylarsinic acidanion; AC1L4ZLM; CAC; Me2AsO2(-); AC1Q1WC3; CHEBI:16223; CTK4C7002; BDBM92451; DTXSID60164758; OGGXGZAMXPVRFZ-UHFFFAOYSA-M; Scotts Stop Weeds After They Start; Scotts Spot Grass and Weed Control; [As(CH3)2O2](-); AKOS032954710; Arsinic acid,dimethyl-, ion(1-) (9CI)

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

136.99

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

0

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C2H6AsO2-
IUPAC Name: dimethylarsinate
Canonical SMILES: C[As](=O)(C)[O-]
InChI: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
InChIKey: OGGXGZAMXPVRFZ-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 167250
ChEBI ID: CHEBI:16223
CAS Number: 15132-04-4
TTD ID: D09TVP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Aspartate-semialdehyde dehydrogenase (Bact asd2)	TTQWGU9	DHAS2_VIBCH	Inhibitor	[1]
Calmodulin (CALM)	TTV3NH6	CALM1_HUMAN ; CALM2_HUMAN ; CALM3_HUMAN	Inhibitor	[1]
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC)	TT0OFWN	LPXC_PSEAE	Inhibitor	[1]
Thioredoxin (TXN)	TTZJ5U9	THIO_HUMAN	Inhibitor	[1]
Thyroid hormone receptor beta (THRB)	TTGER3L	THB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Calmodulin (CALM)	DTT	CALM	6.44E-01	0.09	0.15
Calmodulin (CALM)	DTT	CALM	5.89E-01	-3.28E-04	-1.09E-03

Molecular Expression Atlas (MEA)

MEA Detail

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References

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