Details of the Drug

General Information of Drug (ID: DMKEFJ0)

Drug Name
5-chloro-3,4-dihydroquinazolin-2-amine
Synonyms CHEMBL401541; 2-Amino-5-chlor-3,4-dihydrochinazolin; 109319-86-0
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
5-chloro-1,4-dihydroquinazolin-2-amine
Canonical SMILES
C1C2=C(C=CC=C2Cl)NC(=N1)N
InChI
InChI=1S/C8H8ClN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
InChIKey
UDUQYNVUNNDSEJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13702393
TTD ID
D0Y9TL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Inhibitor [1]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [1]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [1]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Inhibitor [1]
5-HT 3A receptor (HTR3A) TTPC4TU 5HT3A_HUMAN Inhibitor [1]
5-HT 5A receptor (HTR5A) TTRUFDT 5HT5A_HUMAN Inhibitor [1]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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.