Details of the Drug

General Information of Drug (ID: DMZLOVB)

• Drug Name: 5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol
• Synonyms: 7-Bromoeudistomine D; 5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol; 7-bromo-eudistomin D; CHEMBL272185; 101927-49-5; Bromo-eudistomin D; Bromoeudistomin D; AC1L2SZQ; 5,7-Dibromo-9H-prido(3,4-b)indol-6-ol; SCHEMBL7085913; DTXSID80144350; BDBM50207817; 9H-Prido(3,4-b)indol-6-ol, 5,7-dibromo-

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); 341.99
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C11H6Br2N2O
  IUPAC Name: 5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol
  Canonical SMILES: C1=CN=CC2=C1C3=C(C(=C(C=C3N2)Br)O)Br
  InChI: InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
  InChIKey: UNIUKKWPGRGSRQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 127993
  CAS Number: 101927-49-5
  TTD ID: D04TTP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

References

• [1] Synthesis of eudistomin D analogues and its effects on adenosine receptors. Bioorg Med Chem. 2008 Apr 1;16(7):3825-30.