Details of the Drug

General Information of Drug (ID: DMYJHRV)

Drug Name

N-[(5-chloro-1-benzothien-3-yl)methyl]sulfamide

Synonyms

CHEMBL1084675; N-[(5-chloro-1-benzothien-3-yl)methyl]sulfamide; SCHEMBL4274889; PURBZUVIUSNPGZ-UHFFFAOYSA-N; BDBM50310436

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)

276.8

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C9H9ClN2O2S2
IUPAC Name: 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene
Canonical SMILES: C1=CC2=C(C=C1Cl)C(=CS2)CNS(=O)(=O)N
InChI: InChI=1S/C9H9ClN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
InChIKey: PURBZUVIUSNPGZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

Molecular Expression Atlas (MEA)

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References

1	Novel, broad-spectrum anticonvulsants containing a sulfamide group: advancement of N-((benzo[b]thien-3-yl)methyl)sulfamide (JNJ-26990990) into huma... J Med Chem. 2009 Dec 10;52(23):7528-36.