Details of the Drug

General Information of Drug (ID: DMQ2O8V)

• Drug Name: CHF-3381
• Synonyms: Indantadol; UNII-Z3867B9SQP; Z3867B9SQP; Indantadol [INN]; CHF 3381; N-(2-Indanyl)glycinamide hydrochloride; 2-(2-indanylamino)acetamide; SCHEMBL399565; ZINC9005; MolPort-015-094-768; MNLULKBKWKTZPE-UHFFFAOYSA-N; AKOS009549166

Indication

Disease Entry	ICD 11	Status	REF
Neuropathic pain	8E43.0	Phase 2	[1]

• Therapeutic Class: Analgesics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 226.7
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C11H15ClN2O
  IUPAC Name: 2-(2,3-dihydro-1H-inden-2-ylamino)acetamide;hydrochloride
  Canonical SMILES: C1C(CC2=CC=CC=C21)NCC(=O)N.Cl
  InChI: InChI=1S/C11H14N2O.ClH/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10;/h1-4,10,13H,5-7H2,(H2,12,14);1H
  InChIKey: JPNNIRXUJSPGRM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10198454
  CAS Number: 202914-18-9
  UNII: Z3867B9SQP
  DrugBank ID: DB12664
  TTD ID: D04RCT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[2]
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[2]
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Neuropathic pain
• ICD Disease Classification: 8E43.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Indantadol, a novel NMDA antagonist and nonselective MAO inhibitor for the potential treatment of neuropathic pain. IDrugs. 2007 Sep;10(9):636-44.
• [2] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.