Details of the Drug

General Information of Drug (ID: DM0PV2Y)

Drug Name

Hippuristanol

Synonyms

80442-78-0; SCHEMBL1374807; CHEMBL1098427; DTXSID50433627; BDBM50235738; Q10861089

Indication

Disease Entry	ICD 11	Status	REF
T-cell leukaemia	2A90	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

462.7

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C28H46O5
IUPAC Name: (1S,2S,3'S,4S,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol
Canonical SMILES: C[C@H]1C[C@]2([C@]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C[C@@H]([C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@H](C6)O)C)O)C)(C)O)OC1(C)C
InChI: InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1
InChIKey: HPHXKNOXVBFETI-SHCCRYCOSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HUMAN eukaryotic initiation factor-4A (eIF4A)	TTIGYVZ	IF4A1_HUMAN ; IF4A2_HUMAN ; IF4A3_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Hippuristanol - A potent steroid inhibitor of eukaryotic initiation factor 4A. Translation (Austin). 2016 Jan 4;4(1):e1137381.
2	Effects of hippuristanol, an inhibitor of eIF4A, on adult T-cell leukemia. Biochem Pharmacol. 2011 Mar 15;81(6):713-22.