Details of the Drug

General Information of Drug (ID: DM4I6MD)

Drug Name

NICARBAZIN

Synonyms

Nicarbazin; 330-95-0; Nicarbazine; Nicrazine; Nicrazin; Nicoxin; Nirazin; Nicarb; Nicarbasin; Nicarbazin [BAN]; MK 75; UNII-11P9NUA12U; MK 75 (VAN); HSDB 7466; NSC 7171; EINECS 206-359-1; AI3-60130; 11P9NUA12U; CHEBI:81725; Urea, N,N'-bis(4-nitrophenyl)-, compd. with 4,6-dimethyl-2(1H)-pyrimidinone (1:1); 4,4'-Dinitrocarbanilide, 4,6-dimethyl-2-pyrimidinol; 1,3-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one; N,N'-Bis(4-nitrophenyl)urea compd. with 4,6-dimethyl-2-pyrimidinol (1:1); W-106788

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

426.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C19H18N6O6
IUPAC Name: 1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one
Canonical SMILES: CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)
InChIKey: UKHWDRMMMYWSFL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9507
ChEBI ID: CHEBI:81725
CAS Number: 330-95-0
UNII: 11P9NUA12U
DrugBank ID: DB11434
TTD ID: D0JL3O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inh... Bioorg Med Chem Lett. 2009 Dec 1;19(23):6793-6.