Details of the Drug

General Information of Drug (ID: DM1F53L)

• Drug Name: Indol-1-yl-pyridin-4-yl-amine
• Synonyms: 119257-33-9; N-(4-pyridinyl)-1H-indol-1-amine; N-(PYRIDIN-4-YL)-1H-INDOL-1-AMINE; CHEMBL154488; 1H-Indol-1-amine,N-4-pyridinyl-; N-pyridin-4-ylindol-1-amine; N-4-Pyridinyl-1H-indol-1-amine; AC1MIWH0; ACMC-1C0H7; SCHEMBL3139425; ZINC24994; CTK4B1164; DTXSID90152360; YFXZWVUZIPQSKX-UHFFFAOYSA-N; BDBM50048608; 1H-Indol-1-amine, N-4-pyridinyl-; AKOS015924421; RP26505; KB-139314; J-523178

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); 209.25
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H11N3
  IUPAC Name: N-pyridin-4-ylindol-1-amine
  Canonical SMILES: C1=CC=C2C(=C1)C=CN2NC3=CC=NC=C3
  InChI: InChI=1S/C13H11N3/c1-2-4-13-11(3-1)7-10-16(13)15-12-5-8-14-9-6-12/h1-10H,(H,14,15)
  InChIKey: YFXZWVUZIPQSKX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3081186
  CAS Number: 119257-33-9
  TTD ID: D0D1RU

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

• [1] Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeu... J Med Chem. 1996 Jan 19;39(2):570-81.