Details of the Drug

General Information of Drug (ID: DMVWUME)

Drug Name

2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide

Synonyms

CHEMBL432626; 4-(Valproylamide)-Benzyl Sulfonamide; 2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide; ZINC13471978; BDBM50108562

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 (mw)

312.4

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H24N2O3S
IUPAC Name: 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
Canonical SMILES: CCCC(CCC)C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N
InChI: InChI=1S/C15H24N2O3S/c1-3-5-13(6-4-2)15(18)17-11-12-7-9-14(10-8-12)21(16,19)20/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKey: VQEFALSVKDRQBJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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 IV (CA-IV)	DTT	CA4	1.58E-77	-2.02	-1.77

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Carbonic anhydrase inhibitors: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties. J Med Chem. 2002 Jan 17;45(2):312-20.