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]
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ATC Code

N06AX02: TRYPTOLINE

N06AX: Other antidepressants

N06A: ANTIDEPRESSANTS

N06: PSYCHOANALEPTICS

N: NERVOUS SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

172.23

Logarithm of the Partition Coefficient (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Binding of an imidazopyridoindole at imidazoline I2 receptors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):527-9.
2	Binding of beta-carbolines at 5-HT(2) serotonin receptors. Bioorg Med Chem Lett. 2003 Dec 15;13(24):4421-5.