Details of the Drug

General Information of Drug (ID: DMLP241)

Drug Name

GNF-PF-2893

Synonyms

GNF-PF-2893; MLS001098045; SMR000657694; ({[4-(dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane; AC1MDRKI; CHEMBL312032; cid_2815701; BDBM71503; MolPort-002-902-750; ZINC158170; HMS2998H18; CCG-43375; AKOS024379092; MCULE-5924445847; 1-[4-(dimethylamino)phenyl]-3-tosyl-urea; ST51023936; SR-01000633302-1; 1-[4-Dimethylaminophenyl]-3-(4-methylphenylsulfonyl)urea; 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea; 1-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonylurea

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)

333.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H19N3O3S
IUPAC Name: 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
InChIKey: GRIAZRCYPXFJJF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2815701
TTD ID: D0I2DF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PPAR-gamma messenger RNA (PPARG mRNA)	TTT2SVW	PPARG_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.