Details of the Drug

General Information of Drug (ID: DMXNQ15)

• Drug Name: Garveatin C
• Synonyms: Garveatin C; NSC611985; CHEMBL505049; AC1L78CY; AC1Q1K0O; SCHEMBL3086612; BDBM50241725; NSC-611985; 7-acetyl-9-hydroxy-8-methoxy-2,2,4,4,6-pentamethylanthracene-1,3-dione; 1,3(2H,4H)-anthracenedione, 7-acetyl-9-hydroxy-8-methoxy-2,2,4,4,6-pentamethyl-

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); 368.4
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H24O5
  IUPAC Name: 7-acetyl-9-hydroxy-8-methoxy-2,2,4,4,6-pentamethylanthracene-1,3-dione
  Canonical SMILES: CC1=CC2=CC3=C(C(=C2C(=C1C(=O)C)OC)O)C(=O)C(C(=O)C3(C)C)(C)C
  InChI: InChI=1S/C22H24O5/c1-10-8-12-9-13-16(19(25)22(5,6)20(26)21(13,3)4)17(24)15(12)18(27-7)14(10)11(2)23/h8-9,24H,1-7H3
  InChIKey: BRECKZGJFRHNPM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 356405
  TTD ID: D0W3XP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

References

• [1] Indoleamine 2,3-dioxygenase inhibitors from the Northeastern Pacific Marine Hydroid Garveia annulata. J Nat Prod. 2006 Oct;69(10):1496-9.