Details of the Drug

General Information of Drug (ID: DM0XDG6)

• Drug Name: 4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide
• Synonyms: CHEMBL550063; SCHEMBL10266987; BDBM50297313

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); 320.4
  Topological Polar Surface Area (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H20N2O2
  IUPAC Name: 4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
  Canonical SMILES: C1CNCCC12C=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)N
  InChI: InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
  InChIKey: QQXCPIPMLCDOFK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44254503
  TTD ID: D0L9YP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Inhibitor	[1]
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[1]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

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