Details of the Drug

General Information of Drug (ID: DMNOQ49)

Drug Name

1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea

Synonyms

CHEMBL255505; 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea; AC1LKCSZ; CBMicro_019879; AC1Q3IF4; MolPort-000-644-777; ZINC639843; CCG-8060; 1-(3,4-DICHLORO-PHENYL)-3-(3,5-DICHLORO-PHENYL)-UREA; BDBM50373332; AKOS002934710; MCULE-5556566180; BIM-0020045.P001; ST50982277; SJ000146676

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): 1

Molecular Weight (mw)

350

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H8Cl4N2O
IUPAC Name: 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl)urea
Canonical SMILES: C1=CC(=C(C=C1NC(=O)NC2=CC(=CC(=C2)Cl)Cl)Cl)Cl
InChI: InChI=1S/C13H8Cl4N2O/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-11(16)12(17)6-9/h1-6H,(H2,18,19,20)
InChIKey: IMDDDJBDFZQNJH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 989142
TTD ID: D09DLY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
P2Y purinoceptor 1 (P2RY1)	TTA93TL	P2RY1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	P2Y1 receptor antagonists as novel antithrombotic agents. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3338-43.