Details of the Drug

General Information of Drug (ID: DMY2F6T)

Drug Name

Pumiliotoxin 251D

Synonyms

73376-35-9; AC1O5TO7; (+-)-Pumiliotoxin 251D; CHEMBL358960; PTX 251D; 8-Indolizinol, octahydro-8-methyl-6-((2R)-2-methylhexylidene)-, (6Z,8S,8aS)-; C20031

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

251.41

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H29NO
IUPAC Name: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
Canonical SMILES: CCCC[C@@H](C)/C=C\\1/C[C@]([C@@H]2CCCN2C1)(C)O
InChI: InChI=1S/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10-/t13-,15+,16+/m1/s1
InChIKey: OKTQTXDNHCOLHT-AJKPHIATSA-N

Cross-matching ID

PubChem CID: 6440480
CAS Number: 73376-35-9
TTD ID: D0V6EY

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	Inhibitor	[1]
Streptococcus Topoisomerase IV A (Stre-coc parC)	TT1WJCI	PARC_STRPN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many modes of action should an antibiotic have Curr Opin Pharmacol. 2008 Oct;8(5):564-73.