Details of the Drug

General Information of Drug (ID: DMM2OZH)

Drug Name
Ushercell
Synonyms Cellulose sulfate gel, Polydex
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 457.6
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C30H35NO3
IUPAC Name
1-[2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine
Canonical SMILES
CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
InChI
InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m0/s1
InChIKey
XZEUAXYWNKYKPL-URLMMPGGSA-N
Cross-matching ID
PubChem CID
154413
CAS Number
31477-60-8
UNII
44AXY5VE90
DrugBank ID
DB13310
TTD ID
D0ER8I

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Transmission (HIV Tran) TTAUG8D NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Final HIV Results of Ushercell Trials Presented at IAS Conference in Sydney. Phase III Trials of Cellulose Sulfate Microbicide for HIV Prevention Closed. Arlington, VA, January 31, 2007.
2 Short Communication: Enhancement of HIV Infection by Cellulose Sulfate. AIDS Res Hum Retroviruses. 2008 July; 24(7): 925-929.