Details of the Drug

General Information of Drug (ID: DME6MYZ)

• Drug Name: (2-Methyl-indol-1-yl)-propyl-pyridin-4-yl-amine
• Synonyms: CHEMBL154945; (2-Methyl-indol-1-yl)-propyl-pyridin-4-yl-amine; SCHEMBL7608050; BDBM50048573

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); 265.35
  Topological Polar Surface Area (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H19N3
  IUPAC Name: 2-methyl-N-propyl-N-pyridin-4-ylindol-1-amine
  Canonical SMILES: CCCN(C1=CC=NC=C1)N2C(=CC3=CC=CC=C32)C
  InChI: InChI=1S/C17H19N3/c1-3-12-19(16-8-10-18-11-9-16)20-14(2)13-15-6-4-5-7-17(15)20/h4-11,13H,3,12H2,1-2H3
  InChIKey: JCEBKNUYKMFQGZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10515839
  TTD ID: D0W5IN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

References

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