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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-126443 | Elvucitabine
Max Phase 0
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

Molecule Features

CHEMBL38700 compound icon
Drug Type:Natural Product 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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL38700

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 0.997
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 0.972
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.861
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 0.674
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.395
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 0.377
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.248
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 0.223



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2447 Deoxycytidine kinase Homo sapiens 1.000
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.995
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 0.981
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.970
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.902
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 0.879
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 0.865
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.739
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 0.702
CHEMBL1795127 Thymidine kinase Human herpesvirus 1 0.556
CHEMBL2361 Thymidylate kinase Mycobacterium tuberculosis 0.389
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 0.376
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.348
CHEMBL4580 Thymidine kinase, mitochondrial Homo sapiens 0.263
CHEMBL3589 Adenosine kinase Homo sapiens 0.236

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

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
FDA SRS M09BUF90C0
Nikkaji J746.100C
PubChem 469717
PubChem: Drugs of the Future 12015055
PubChem: Thomson Pharma 14798081
SureChEMBL SCHEMBL1649928
ZINC ZINC00007048

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