Details of the Drug

General Information of Drug (ID: DMV19K7)

• Drug Name: TRYPTOLINE
• Synonyms: 16502-01-5; Tryptoline; 2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole; Noreleagnine; 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole; 1,2,3,4-Tetrahydro-beta-carboline; Tetrahydro-beta-carboline; THBC; Tetrahydronorharman; UNII-65027TMI0H; 1H,2H,3H,4H,9H-Pyrido[3,4-B]Indole; 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-; 2,3,4,9-tetrahydro-1H-beta-carboline; MLS000069483; CHEMBL269236; 65027TMI0H; SMR000059115; Triptoline; Tetrahydronorharmane; Tetrahydro-beta-carboline, 98%; 1,2,3,4-tetrahydrobeta-carboline

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); 172.23
  Topological Polar Surface Area (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H12N2
  IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
  Canonical SMILES: C1CNCC2=C1C3=CC=CC=C3N2
  InChI: InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
  InChIKey: CFTOTSJVQRFXOF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 107838
  ChEBI ID: CHEBI:92568
  CAS Number: 16502-01-5
  TTD ID: D03LPH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[2]
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]
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]
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
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

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