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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1167
CHEMBL1167
Compound Name SPECTINOMYCIN
ChEMBL Synonyms U-18409AE | M-141 | Espectinomicina | Stanilo | Spectam | Actinospectacin | SPECTINOMYCIN HYDROCHLORIDE | Trobicin | Spectinomycin Sulfate | SPECTINOMYCIN | U-18,409AE
Max Phase 4 (Approved)
Trade Names Trobicin | Espectinomicina | Actinospectacin | Spectam | Stanilo
Molecular Formula C14H24N2O7

Additional synonyms for CHEMBL1167 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3 ...
Download SMILES
Standard InChI InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7( ...
Download InChI
Standard InChI Key UNFWWIHTNXNPBV-WXKVUWSESA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1167

Molecule Features

CHEMBL1167 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial 70S ribosome inhibitor Bacterial 70S ribosome FDA PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials

Clinical Data

ClinicalTrials.gov SPECTINOMYCIN
The Cochrane Collaboration SPECTINOMYCIN

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
332.4 332.1584 -2.93 2 129.51 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.26 8.56 .75 -.79 0 23 0.36

Structural Alerts

There are 2 structural alerts for CHEMBL1167. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XX - Other antibacterials
J01XX04 - spectinomycin

ChemSpider ChemSpider:UNFWWIHTNXNPBV-WXKVUWSESA-N
PubChem SID: 26754323
Wikipedia Spectinomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1167



ACToR 1695-77-8
ChEBI 9215
DrugBank DB00919
DrugCentral 2468
eMolecules 30157345 1934872 30151837
EPA CompTox Dashboard DTXSID9023592
FDA SRS 93AKI1U6QF
Human Metabolome Database HMDB0015055
IBM Patent System 49DDE12FD2A8E9BBF9A3FB2BFA5E84C1
KEGG Ligand C02078
LINCS LSM-5298
Mcule MCULE-1267098066
Metabolights MTBLC9215
MolPort MolPort-002-513-665
Nikkaji J7.562K
PDBe SCM
PharmGKB PA164781342
PubChem 15541
PubChem: Thomson Pharma 14753260 14875285
SureChEMBL SCHEMBL3533
ZINC ZINC000053006806

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