Details of the Drug

General Information of Drug (ID: DM9IHFY)

• Drug Name: 11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol
• Synonyms: CHEMBL207706; 11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol

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); 249.31
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C17H15NO
  IUPAC Name: 11-methyl-5,6-dihydrobenzo[a]carbazol-9-ol
  Canonical SMILES: CN1C2=C(C=CC(=C2)O)C3=C1C4=CC=CC=C4CC3
  InChI: InChI=1S/C17H15NO/c1-18-16-10-12(19)7-9-14(16)15-8-6-11-4-2-3-5-13(11)17(15)18/h2-5,7,9-10,19H,6,8H2,1H3
  InChIKey: MZXLONQJNNQZJT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44411876
  TTD ID: D07TLT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Androgen receptor (AR)	TTS64P2	ANDR_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
Androgen receptor (AR)	DTT	AR	2.13E-01	-0.07	-0.11

References

• [1] Discovery of indole-containing tetracycles as a new scaffold for androgen receptor ligands. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3233-7.