Details of the Drug

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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.