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
  ChEBI ID: CHEMBL505049
  TTD ID: D0W3XP
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.