Details of the Drug

General Information of Drug (ID: DMTDB62)

• Drug Name: 3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole
• Synonyms: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole; 65347-55-9; 38620-69-8; MLS000093715; SMR000029333; CHEMBL27811; 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole; 3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole; 3-(4-1,2,5,6-tetrahydropyridyl)indole; THPindole; ChemDiv2_002931; AC1Q1GX4; SCHEMBL653742; AC1MC402; CTK5C2597; cid_2761023; BDBM31023; DTXSID20375484; CIRSPTXGPFAXRE-UHFFFAOYSA-N; MolPort-000-159-541; HMS1377F05; ZINC154399; STK801496; 2202AE; SBB092334; BBL010213; MFCD03695471; AKOS000505683; FS-1743; NE12559; CCG-139909

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); 198.26
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H14N2
  IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
  Canonical SMILES: C1CNCC=C1C2=CNC3=CC=CC=C32
  InChI: InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
  InChIKey: CIRSPTXGPFAXRE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2761023
  CAS Number: 65347-55-9
  TTD ID: D02MVR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic a... J Med Chem. 1990 Aug;33(8):2087-93.