General Information of Drug (ID: DMFNSHM)

Drug Name
LHF-535
Synonyms
BET7FM8SQG; UNII-BET7FM8SQG; 1450929-77-7; (Z)-2-(4-(2-(1-(4-Isopropoxyphenyl)-1H-benzo[d]imidazol-5-yl)vinyl)phenyl)propan-2-ol; CHEMBL4537239; SCHEMBL15201523; HY-112762; CS-0063343; 2-[4-[(Z)-2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]propan-2-ol; Benzenemethanol, alpha,alpha-dimethyl-4-((1Z)-2-(1-(4-(1-methylethoxy)phenyl)-1H-benzimidazol-5-yl)ethenyl)-
Indication
Disease Entry ICD 11 Status REF
Lassa fever 1D61.2 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 412.5
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C27H28N2O2
IUPAC Name
2-[4-[(Z)-2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]propan-2-ol
Canonical SMILES
CC(C)OC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)/C=C\\C4=CC=C(C=C4)C(C)(C)O
InChI
InChI=1S/C27H28N2O2/c1-19(2)31-24-14-12-23(13-15-24)29-18-28-25-17-21(9-16-26(25)29)6-5-20-7-10-22(11-8-20)27(3,4)30/h5-19,30H,1-4H3/b6-5-
InChIKey
DBNZTRPIBJSUIX-WAYWQWQTSA-N
Cross-matching ID
PubChem CID
71711529
CAS Number
1450929-77-7
TTD ID
DY03KH
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lassa virus Pre-glycoprotein polyprotein GP complex (LASV GPC) TTD2IK3 GLYC_LASSG Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03993704) Multiple Ascending Oral Dose 14-Day Trial of LHF-535 in Healthy Participants. U.S. National Institutes of Health.
2 A potent Lassa virus antiviral targets an arenavirus virulence determinant. PLoS Pathog. 2018 Dec 21;14(12):e1007439.