Details of the Drug

General Information of Drug (ID: DM0298B)

Drug Name

Salvicine

Synonyms

Salvicine; 240423-23-8; 8-(3,4-dihydroxy-4-methylpentyl)-3-isopropyl-7-methylnaphthalene-1,2-dione; CHEMBL90715; DTXSID50438718; MolPort-028-744-855; AKOS025401738; ( inverted exclamation markA)Salvicine; QC-1122

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

330.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H26O4
IUPAC Name: 8-(3,4-dihydroxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
Canonical SMILES: CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC(C(C)(C)O)O
InChI: InChI=1S/C20H26O4/c1-11(2)15-10-13-7-6-12(3)14(17(13)19(23)18(15)22)8-9-16(21)20(4,5)24/h6-7,10-11,16,21,24H,8-9H2,1-5H3
InChIKey: NZIUPDOWWMGNCV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10359290
CAS Number: 240423-23-8
TTD ID: D03FVS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Salvicine functions as novel topoisomerase II poison by binding to ATP pocket. Mol Pharmacol. 2006 Nov;70(5):1593-601.
2	Salvicine, a novel topoisomerase II inhibitor, exerts its potent anticancer activity by ROS generation. Acta Pharmacol Sin. 2007 Sep;28(9):1460-5.