Details of the Drug

General Information of Drug (ID: DM0RB53)

• Drug Name: 6,11-dihydrothiochromeno[4,3-b]indol-8-ol
• Synonyms: CHEMBL210924; 6,11-dihydrothiochromeno[4,3-b]indol-8-ol; SCHEMBL1986592; BVGUKMAMOJMOFD-UHFFFAOYSA-N; BDBM50185203

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); 253.32
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H11NOS
  IUPAC Name: 6,11-dihydrothiochromeno[4,3-b]indol-8-ol
  Canonical SMILES: C1C2=C(C3=CC=CC=C3S1)NC4=C2C=C(C=C4)O
  InChI: InChI=1S/C15H11NOS/c17-9-5-6-13-11(7-9)12-8-18-14-4-2-1-3-10(14)15(12)16-13/h1-7,16-17H,8H2
  InChIKey: BVGUKMAMOJMOFD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44411868
  TTD ID: D00QVP

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.