Details of the Drug

General Information of Drug (ID: DM61VJO)

Drug Name
8-chloro-3,4-dihydroquinazolin-2-amine
Synonyms CHEMBL272752
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): 0 Molecular Weight (mw) 181.62
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C8H8ClN3
IUPAC Name
8-chloro-1,4-dihydroquinazolin-2-amine
Canonical SMILES
C1C2=C(C(=CC=C2)Cl)NC(=N1)N
InChI
InChI=1S/C8H8ClN3/c9-6-3-1-2-5-4-11-8(10)12-7(5)6/h1-3H,4H2,(H3,10,11,12)
InChIKey
AWSSYPVAGZEEAA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44456244
ChEBI ID
CHEMBL272752
TTD ID
D0C3AR
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 5A receptor (HTR5A) TTRUFDT 5HT5A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Cyclic guanidines as dual 5-HT5A/5-HT7 receptor ligands: structure-activity relationship elucidation. Bioorg Med Chem Lett. 2008 Jan 1;18(1):256-61.