Details of the Drug

General Information of Drug (ID: DMMOBPN)

Drug Name

1,3-dibenzyl urea

Synonyms

1,3-Dibenzylurea; N,N'-Dibenzylurea; 1466-67-7; sym-Dibenzylurea; Urea, N,N'-bis(phenylmethyl)-; 1,3-dibenzyl urea; 1,3-Dibenzyl-urea; CHEMBL504463; KATOLVAXCGIBLO-UHFFFAOYSA-N; N-benzyl[benzylamino]carboxamide; dibenzylurea; EINECS 215-984-9; NSC408007; NSC 408007; N,N'-Dibenzylharnstoff; AI3-19855; AC1Q5OY5; AC1L2IW5; Oprea1_448978; Urea,N'-bis(phenylmethyl)-; SCHEMBL714625; Urea,N,N'-bis(phenylmethyl)-; DTXSID3061710; ZINC84096; KS-00001BSB; CTK4C5047; MolPort-000-421-383; HMS1697A06; STK008269; BDBM50248768; SBB023417; CCG-48904

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)

240.3

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C15H16N2O
IUPAC Name: 1,3-dibenzylurea
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2
InChI: InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
InChIKey: KATOLVAXCGIBLO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72889
CAS Number: 1466-67-7
TTD ID: D0GL2X

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Rare dipeptide and urea derivatives from roots of Moringa oleifera as potential anti-inflammatory and antinociceptive agents. Eur J Med Chem. 2009 Jan;44(1):432-6.