Details of the Drug

General Information of Drug (ID: DMK6U2V)

Drug Name
8-methoxy-4-methyl-3,4-dihydroquinazolin-2-amine
Synonyms CHEMBL408152; SCHEMBL1382388; SCKPQZMXGISHHF-UHFFFAOYSA-N; BDBM50371445; 918136-34-2; 8-Methoxy-4-methyl-3,4-dihydro-quinazolin-2-ylamine; 2-Quinazolinamine, 1,4-dihydro-8-methoxy-4-methyl-
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) 191.23
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H13N3O
IUPAC Name
8-methoxy-4-methyl-1,4-dihydroquinazolin-2-amine
Canonical SMILES
CC1C2=C(C(=CC=C2)OC)NC(=N1)N
InChI
InChI=1S/C10H13N3O/c1-6-7-4-3-5-8(14-2)9(7)13-10(11)12-6/h3-6H,1-2H3,(H3,11,12,13)
InChIKey
SCKPQZMXGISHHF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16006606
ChEBI ID
CHEMBL408152
TTD ID
D0XX2U
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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 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]
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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
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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.