Details of the Drug

General Information of Drug (ID: DMGDTNI)

Drug Name
5-chloro-4-ethyl-3,4-dihydroquinazolin-2-amine
Synonyms CHEMBL270176; 918134-92-6; 2-Quinazolinamine, 5-chloro-4-ethyl-1,4-dihydro-; 5-Chloro-4-ethyl-1,4-dihydroquinazolin-2-amine; SCHEMBL3570857; CTK3H8593; DTXSID00659173
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) 209.67
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H12ClN3
IUPAC Name
5-chloro-4-ethyl-1,4-dihydroquinazolin-2-amine
Canonical SMILES
CCC1C2=C(C=CC=C2Cl)NC(=N1)N
InChI
InChI=1S/C10H12ClN3/c1-2-7-9-6(11)4-3-5-8(9)14-10(12)13-7/h3-5,7H,2H2,1H3,(H3,12,13,14)
InChIKey
MICIQKQOEFSTDP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44455973
CAS Number
918134-92-6
TTD ID
D03ZHB

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 2C receptor (HTR2C) TTWJBZ5 5HT2C_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.