Details of the Drug

General Information of Drug (ID: DMRYCL6)

Drug Name
4-propyl-3,4-dihydroquinazolin-2-amine
Synonyms CHEMBL270840
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) 189.26
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C11H15N3
IUPAC Name
4-propyl-1,4-dihydroquinazolin-2-amine
Canonical SMILES
CCCC1C2=CC=CC=C2NC(=N1)N
InChI
InChI=1S/C11H15N3/c1-2-5-9-8-6-3-4-7-10(8)14-11(12)13-9/h3-4,6-7,9H,2,5H2,1H3,(H3,12,13,14)
InChIKey
GMMVLHFFOQJVPH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44455983
TTD ID
D0EA7Z

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.