Details of the Drug

General Information of Drug (ID: DMDB2KJ)

• Drug Name: CGS-19281A
• Synonyms: Cgs-19281A; CHEMBL6409; 31652-37-6; 4,9-Dihydro-7-methoxy-3H-pyrido(3,4b)indole; 3H-Pyrido(3,4-b)indole, 4,9-dihydro-7-methoxy-; AC1L53KC; AC1Q56KK; 7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole; SCHEMBL2930783; CTK4G7530; DTXSID90185537; BDBM50079903; 7-Methoxy-4,9-dihydro-3H-beta-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); 200.24
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H12N2O
  IUPAC Name: 7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
  Canonical SMILES: COC1=CC2=C(C=C1)C3=C(N2)C=NCC3
  InChI: InChI=1S/C12H12N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6-7,14H,4-5H2,1H3
  InChIKey: VTEZDUSEJVSZGQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 169339
  CAS Number: 31652-37-6
  TTD ID: D0D1PE

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.