Details of the Drug

General Information of Drug (ID: DM7GX1S)

Drug Name
GARVEATIN A
Synonyms garveatin A; SCHEMBL3090239
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.4
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H20O5
IUPAC Name
6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one
Canonical SMILES
CC1=CC2=CC3=C(C(=C(C(=O)C3(C)C)C)O)C(=C2C(=C1C(=O)C)O)O
InChI
InChI=1S/C20H20O5/c1-8-6-11-7-12-15(16(22)9(2)19(25)20(12,4)5)18(24)14(11)17(23)13(8)10(3)21/h6-7,22-24H,1-5H3
InChIKey
WVQSFFSLBOWMAA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15940065
TTD ID
D0J9JH
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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