Details of the Drug

General Information of Drug (ID: DM27HMT)

• Drug Name: 4,9-Dihydro-3H-beta-carboline
• Synonyms: 4894-26-2; 4,9-dihydro-3H-Pyrido[3,4-b]indole; 4,9-dihydro-3H-beta-carboline; 3H-Pyrido(3,4-b)indole, 4,9-dihydro-; 3,4-dihydro-beta-carboline; CHEMBL266221; 4,9-Dihydro-3H-pyrido(3,4-b)indole; 3H-Pyrido[3,4-b]indole, 4,9-dihydro-; AC1L3RVU; 3,4-dihydrobeta-carboline; SCHEMBL678673; CTK7D1379; DTXSID20197643; ZINC332024; BDBM50136506; SBB062953; FCH841675; AKOS006272808; ACM4894262; 3H,4H,9H-PYRIDO[3,4-B]INDOLE; TX-010240; FT-0698471

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); 170.21
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H10N2
  IUPAC Name: 4,9-dihydro-3H-pyrido[3,4-b]indole
  Canonical SMILES: C1CN=CC2=C1C3=CC=CC=C3N2
  InChI: InChI=1S/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,7,13H,5-6H2
  InChIKey: NTYXKFHKVREUMR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 145772
  CAS Number: 4894-26-2
  TTD ID: D0G8BT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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

References

• [1] Pyrazino[1,2-a]indoles as novel high-affinity and selective imidazoline I(2) receptor ligands. Bioorg Med Chem Lett. 2004 Feb 23;14(4):1003-5.