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]
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
CHEMBL16223
CAS Number
15132-04-4
TTD ID
D09TVP
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 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) Jump to Detail Molecular Expression Atlas of This Drug

References

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