Details of the Drug

General Information of Drug (ID: DMXWOBE)

Drug Name

ISOLONGIFOLOL

Synonyms

Longifolol; CHEMBL388140; ISOLONGIFOLOL; 469-27-2; ZINC28645580; BDBM50211775

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)

222.37

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C15H26O
IUPAC Name: [(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol
Canonical SMILES: C[C@]12CCCC([C@@H]3[C@H]1CC[C@@H]3[C@@H]2CO)(C)C
InChI: InChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12+,13+,15+/m1/s1
InChIKey: VZJHQHUOVIDRCF-BIGJJFBESA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 2B7 (UGT2B7)	TTO69J7	UD2B7_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Isoform-selective inhibition of the human UDP-glucuronosyltransferase 2B7 by isolongifolol derivatives. J Med Chem. 2007 May 31;50(11):2655-64.