Details of the Drug

General Information of Drug (ID: DMUFZ18)

Drug Name

Garveatin E

Synonyms

garveatin E

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)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H20O5
IUPAC Name: 2-ethyl-8,9-dihydroxy-3,5,5,7-tetramethylanthracene-1,4,6-trione
Canonical SMILES: CCC1=C(C(=O)C2=CC3=C(C(=C(C(=O)C3(C)C)C)O)C(=C2C1=O)O)C
InChI: InChI=1S/C20H20O5/c1-6-10-8(2)15(21)11-7-12-14(18(24)13(11)17(10)23)16(22)9(3)19(25)20(12,4)5/h7,22,24H,6H2,1-5H3
InChIKey: XUTUGWZITVPISM-UHFFFAOYSA-N

Cross-matching ID

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.