Details of the Drug

General Information of Drug (ID: DMH9A4S)

• Drug Name: ADS-103253
• Synonyms: ADS-103253; CHEMBL216228; SCHEMBL6507329; BDBM50200788

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); 396.9
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H21ClN4O2
  IUPAC Name: 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
  Canonical SMILES: CC1=C2C=C(C=CC2=NC(=N1)N3CCCC3)NC(=O)COC4=CC=C(C=C4)Cl
  InChI: InChI=1S/C21H21ClN4O2/c1-14-18-12-16(24-20(27)13-28-17-7-4-15(22)5-8-17)6-9-19(18)25-21(23-14)26-10-2-3-11-26/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27)
  InChIKey: MXDQNCXNQJMIEH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11452268
  TTD ID: D0N6OL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2B receptor (HTR2B)	TT0K1SC	5HT2B_HUMAN	Inhibitor	[1]
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

• [1] Quinazoline and benzimidazole MCH-1R antagonists. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1403-7.