Details of the Drug

General Information of Drug (ID: DMNMJDL)

• Drug Name: 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
• Synonyms: 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN; AC1NUV4X; DB08480; (1R)-1-(prop-2-enylideneamino)-2,3-dihydro-1H-inden-4-ol; (1R)-1-[(E)-prop-2-en-1-ylideneamino]-2,3-dihydro-1H-inden-4-ol

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); 187.24
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H13NO
  IUPAC Name: (1R)-1-(prop-2-enylideneamino)-2,3-dihydro-1H-inden-4-ol
  Canonical SMILES: C=CC=N[C@@H]1CCC2=C1C=CC=C2O
  InChI: InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,8,11,14H,1,6-7H2/t11-/m1/s1
  InChIKey: OFWOPQIDDNCCLL-LLVKDONJSA-N
• Cross-matching ID:
  PubChem CID: 5494443
  DrugBank ID: DB08480
  TTD ID: D06ETG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_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
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.