Details of the Drug

General Information of Drug (ID: DMSB8WQ)

• Drug Name: 6,11-dihydro-5H-benzo[a]carbazole
• Synonyms: 6,11-dihydro-5H-benzo[a]carbazole; 21064-49-3; 5H-Benzo[a]carbazole, 6,11-dihydro-; 1,2,7-trihydrobenzo[a]4aH-carbazole; ST076800; 5,11-Dihydro-6H-benzo[a]carbazole; 5,11-DIHYDRO-6H-BENZO(A)CARBAZOLE; NSC168810; AC1L6RUQ; Maybridge1_006237; AC1Q1H7M; CHEMBL239937; Aza-heterocyclic Derivative, 7; SCHEMBL12126575; HMS559D11; CTK0J8060; BDBM19186; DTXSID40305026; MolPort-000-737-601; ZX-AN022290; ALBB-023776; ZINC1023865; CCG-20433; STK874208; BBL028411; 5,6-Dihydro-11H-benzo[a]carbazole; AKOS000547063; MCULE-4710620349; NSC-168810; RH 00

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); 219.28
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C16H13N
  IUPAC Name: 6,11-dihydro-5H-benzo[a]carbazole
  Canonical SMILES: C1CC2=C(C3=CC=CC=C31)NC4=CC=CC=C24
  InChI: InChI=1S/C16H13N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,17H,9-10H2
  InChIKey: UPUQYBJFFYMNQK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 297591
  CAS Number: 21064-49-3
  TTD ID: D0E5VT

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]

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 A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives. J Med Chem. 2007 Nov 1;50(22):5364-71.