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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 216.06
  Topological Polar Surface Area (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
  CAS Number: 444904-63-6
  TTD ID: D08VGJ

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]

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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