Details of the Drug

General Information of Drug (ID: DMHDN25)

Drug Name
4-ethyl-3,4-dihydroquinazolin-2-amine
Synonyms CHEMBL270841
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) 175.23
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H13N3
IUPAC Name
4-ethyl-1,4-dihydroquinazolin-2-amine
Canonical SMILES
CCC1C2=CC=CC=C2NC(=N1)N
InChI
InChI=1S/C10H13N3/c1-2-8-7-5-3-4-6-9(7)13-10(11)12-8/h3-6,8H,2H2,1H3,(H3,11,12,13)
InChIKey
FUFWGLRRMNVLPD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44455986
TTD ID
D03XKU

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.