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]
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
PubChem CID
12311096
ChEBI ID
CHEMBL388140
CAS Number
1139-17-9
TTD ID
D0M7YB
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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]
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.