Details of the Drug

General Information of Drug (ID: DMFR7JW)

Drug Name

1-Methyloxy-4-Sulfone-Benzene

Synonyms

1-METHYLOXY-4-SULFONE-BENZENE; 4-methoxybenzenesulfinate; AC1MZTZ7; SCHEMBL13838953; YVZWQPOTHRMEQW-UHFFFAOYSA-M; SBB082464; 1-(dioxidosulfanyl)-4-methoxybenzene; ZINC150339282; AKOS004898433; DB03033

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)

171.2

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C7H7O3S-
IUPAC Name: 4-methoxybenzenesulfinate
Canonical SMILES: COC1=CC=C(C=C1)S(=O)[O-]
InChI: InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5H,1H3,(H,8,9)/p-1
InChIKey: YVZWQPOTHRMEQW-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 3952261
DrugBank ID: DB03033
TTD ID: D07OME

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-13 (MMP-13)	TTHY57M	MMP13_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-3 (MMP-3)	TTUZ2L5	MMP3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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