Details of the Drug

General Information of Drug (ID: DMN1S35)

Drug Name
5,6-dichloro-3,4-dihydroquinazolin-2-amine
Synonyms
Anagrelide impurity 5; 2-Amino-5,6-dichloro-3,4-dihydroquinazoline; 444904-63-6; CHEMBL1548; 2-Quinazolinamine, 5,6-dichloro-1,4-dihydro-; W-202785; SCHEMBL1569300; CTK1D2410; DTXSID80432648; VBKOTIVQMCTTAQ-UHFFFAOYSA-N; ZINC29130869; BDBM50371434; AKOS030254941; 5,6-Dichloro-1,4-dihydro-2-quinazolinamine; 2-amino-5,6-dichloro-3,4dihydroquinazoline; FT-0722369
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) 216.06
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C8H7Cl2N3
IUPAC Name
5,6-dichloro-1,4-dihydroquinazolin-2-amine
Canonical SMILES
C1C2=C(C=CC(=C2Cl)Cl)NC(=N1)N
InChI
InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
InChIKey
VBKOTIVQMCTTAQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9904281
ChEBI ID
CHEMBL1548
CAS Number
444904-63-6
TTD ID
D08VGJ
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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 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 6 receptor (HTR6) TTJS8PY 5HT6R_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.