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]
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
PubChem CID
21609882
ChEBI ID
CHEMBL465623
TTD ID
D0K4MG
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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.