ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1241951
CHEMBL1241951
Compound Name LETERMOVIR
ChEMBL Synonyms LETERMOVIR | PREVYMIS
Max Phase 4 (Approved)
Trade Names PREVYMIS
Molecular Formula C29H28F4N4O4

Additional synonyms for CHEMBL1241951 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(c1)N2CCN(CC2)C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c5cc(cc ...
Download SMILES
Standard InChI InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14 ...
Download InChI
Standard InChI Key FWYSMLBETOMXAG-QHCPKHFHSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1241951

Molecule Features

CHEMBL1241951 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:Y Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA terminase inhibitor DNA terminase FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cytomegalovirus InfectionsD003586EFO:0001062cytomegalovirus infection4ClinicalTrials
FDA

Clinical Data

ClinicalTrials.gov LETERMOVIR
The Cochrane Collaboration LETERMOVIR

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
572.6 572.2047 5.71 6 77.84 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4 5.68 4.4 1.44 3 41 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL1241951. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FWYSMLBETOMXAG-QHCPKHFHSA-N
DailyMed letermovir

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1241951



DrugBank DB12070
DrugCentral 5262
EPA CompTox Dashboard DTXSID40238683
FDA SRS 1H09Y5WO1F
IBM Patent System 2FD82CFA40F1709ABDC52F18BB2BF72B
LINCS LSM-45820
MolPort MolPort-044-183-397
Nikkaji J3.556.145E
PubChem 45138674
PubChem: Drugs of the Future 123055444
PubChem: Thomson Pharma 92388531
SureChEMBL SCHEMBL379403
ZINC ZINC000100369359

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FWYSMLBETOMXAG-QHCPKHFHSA-N spacer
spacer