Details of the Drug

General Information of Drug (ID: DMK96BL)

Drug Name

2-HYDROXYGARVIN A

Synonyms

2-hydroxygarvin A; CHEMBL465623; SCHEMBL3076542

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

414.4

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C23H26O7
IUPAC Name: methyl 7,9-dihydroxy-3-methoxy-5,5,7-trimethyl-6,8-dioxo-1-propylanthracene-2-carboxylate
Canonical SMILES: CCCC1=C(C(=CC2=CC3=C(C(=C21)O)C(=O)C(C(=O)C3(C)C)(C)O)OC)C(=O)OC
InChI: InChI=1S/C23H26O7/c1-7-8-12-15-11(10-14(29-5)16(12)20(26)30-6)9-13-17(18(15)24)19(25)23(4,28)21(27)22(13,2)3/h9-10,24,28H,7-8H2,1-6H3
InChIKey: PRAZMVBMBFPZFN-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]

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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.