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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1517
CHEMBL1517
Compound Name OXYTETRACYCLINE
ChEMBL Synonyms OXY-KESSO-TETRA | Terramycin | Hi-Tet | TERRAMYCIN | OXYTETRACYCLINE CALCIUM | Microtet | OXTC | OXYTETRACYCLINE | OXITETRACYCLINE | TERRAFUNGINE | OXYTETRACYCLINE HYDROCHLORIDE | E703 | Tetraplex
Max Phase 4 (Approved)
Trade Names OXTC | TERRAMYCIN | Hi-Tet | Terramycin | OXY-KESSO-TETRA | Microtet | Tetraplex | OXYTETRACYCLINE HYDROCHLORIDE
Molecular Formula C22H24N2O9

Additional synonyms for CHEMBL1517 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O) ...
Download SMILES
Standard InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21 ...
Download InChI
Standard InChI Key IWVCMVBTMGNXQD-PXOLEDIWSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1517

Molecule Features

CHEMBL1517 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial 70S ribosome inhibitor Bacterial 70S ribosome KEGG

Clinical Data

ClinicalTrials.gov OXYTETRACYCLINE
The Cochrane Collaboration OXYTETRACYCLINE

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 CHEMBL1517. 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
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL2622 Aldose reductase Rattus norvegicus 0.876
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.831
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.752
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.426
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.371
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.287



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 1.000
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL2980 Arachidonate 5-lipoxygenase Bos taurus 1.000
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.973
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 0.870
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.716
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.695
CHEMBL1806 DNA topoisomerase II alpha Homo sapiens 0.659
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.566
CHEMBL4695 Fructose-bisphosphate aldolase A Oryctolagus cuniculus 0.520
CHEMBL233 Mu opioid receptor Homo sapiens 0.446
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.397
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.393
CHEMBL3401 Pregnane X receptor Homo sapiens 0.359
CHEMBL5784 NUAK family SNF1-like kinase 1 Homo sapiens 0.334
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.321
CHEMBL2622 Aldose reductase Rattus norvegicus 0.319
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.300
CHEMBL237 Kappa opioid receptor Homo sapiens 0.280
CHEMBL4090 Protein kinase Pfmrk Plasmodium falciparum 0.202

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
460.4 460.1482 -1.9 2 201.85 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 7 1 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 10.8 .48 -2.45 1 33 0.24

Structural Alerts

There are 2 structural alerts for CHEMBL1517. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01A - TETRACYCLINES
J01AA - Tetracyclines
J01AA56 - oxytetracycline, combinations

J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01A - TETRACYCLINES
J01AA - Tetracyclines
J01AA06 - oxytetracycline

G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AA - Antibiotics
G01AA07 - oxytetracycline

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AA - Antibiotics
S01AA04 - oxytetracycline

D - DERMATOLOGICALS
D06 - ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
D06A - ANTIBIOTICS FOR TOPICAL USE
D06AA - Tetracycline and derivatives
D06AA03 - oxytetracycline

FRAC D - AMINO ACIDS AND PROTEIN SYNTHESIS
D5 - PROTEIN SYNTHESIS
D541 - TETRACYCLINE ANTIBIOTIC
D541A - TETRACYCLINE ANTIBIOTIC
D541A1 - OXYTETRACYCLINE
ChemSpider ChemSpider:IWVCMVBTMGNXQD-PXOLEDIWSA-N
PubChem SID: 144212697
Wikipedia Oxytetracycline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1517



Brenda 15900 139231
ChEBI 133011 27701
DrugBank DB00595
DrugCentral 2041
eMolecules 713751 29542588
EPA CompTox Dashboard DTXSID1034260
FDA SRS SLF0D9077S
KEGG Ligand C06624
LipidMaps LMPK07000005
Mcule MCULE-5398230579
Metabolights MTBLC133011 MTBLC27701
MolPort MolPort-002-524-946
Nikkaji J3.847D
PDBe OTC
PharmGKB PA450757
PubChem: Thomson Pharma 14882483 14784635
SureChEMBL SCHEMBL2899
ZINC ZINC000095626782

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