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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL38700
CHEMBL38700
Compound Name ELVUCITABINE
ChEMBL Synonyms ACH-126,443 | ELVUCITABINE
Max Phase 2
Trade Names
Molecular Formula C9H10FN3O3

Additional synonyms for CHEMBL38700 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)N(C=C1F)[C@H]2O[C@@H](CO)C=C2
Standard InChI InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)1 ...
Download InChI
Standard InChI Key HSBKFSPNDWWPSL-VDTYLAMSSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL38700

Molecule Features

CHEMBL38700 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HIV INFECTIONSD015658EFO:0000764HIV INFECTION2ClinicalTrials

Clinical Data

ClinicalTrials.gov ELVUCITABINE
The Cochrane Collaboration ELVUCITABINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL38700. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2447 Deoxycytidine kinase Homo sapiens 1.000
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.991
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.659
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 0.563
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.313
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 0.228



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2447 Deoxycytidine kinase Homo sapiens 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.992
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.904
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 0.823
CHEMBL2883 Thymidine kinase, cytosolic Homo sapiens 0.788
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 0.788
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.744
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.605
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 0.582
CHEMBL1795127 Thymidine kinase Human herpesvirus 1 0.445
CHEMBL2361 Thymidylate kinase Mycobacterium tuberculosis 0.290
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.210

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
227.2 227.0706 -1 2 88.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.43 -1.28 -1.28 0 16 0.59

Structural Alerts

There are 1 structural alerts for CHEMBL38700. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HSBKFSPNDWWPSL-VDTYLAMSSA-N
Wikipedia Elvucitabine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL38700



ACToR 18246-52-1 181785-84-2
BindingDB 50421604
Brenda 135062
EPA CompTox Dashboard DTXSID20171185
FDA SRS M09BUF90C0
IBM Patent System F856518F0A2DDB2FAD7392754D7C410E
Nikkaji J746.100C
PubChem 469717
PubChem: Drugs of the Future 12015055
PubChem: Thomson Pharma 14798081
SureChEMBL SCHEMBL1649928
ZINC ZINC000000007048

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