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]
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
ChEBI ID
CHEMBL255505
TTD ID
D09DLY
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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]
Molecular Interaction Atlas (MIA) 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.