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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1447
CHEMBL1447
Compound Name LINCOMYCIN
ChEMBL Synonyms LINCOMYCIN | LINCOMYCIN HYDROCHLORIDE | U-10,149 | LINCOCIN
Max Phase 4 (Approved)
Trade Names LINCOMYCIN HYDROCHLORIDE | LINCOMYCIN | LINCOCIN
Molecular Formula C18H34N2O6S

Additional synonyms for CHEMBL1447 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9( ...
Download InChI
Standard InChI Key OJMMVQQUTAEWLP-KIDUDLJLSA-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


CHEMBL1447

Molecule Features

CHEMBL1447 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

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

Indications

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

Clinical Data

ClinicalTrials.gov LINCOMYCIN
The Cochrane Collaboration LINCOMYCIN

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
406.6 406.2138 -0.86 7 122.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 8 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.91 8.78 .72 -.36 0 27 0.37

Structural Alerts

There are no structural alerts for CHEMBL1447

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01F - MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FF - Lincosamides
J01FF02 - lincomycin

ChemSpider ChemSpider:OJMMVQQUTAEWLP-KIDUDLJLSA-N
DailyMed lincomycin hydrochloride
PubChem SID: 29215234
Wikipedia Lincomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1447



ACToR 154-21-2
Atlas lincomycin
BindingDB 50335522
Brenda 30146 40359
ChEBI 6472
DrugBank DB01627
DrugCentral 1582
eMolecules 31240769 26423691
EPA CompTox Dashboard DTXSID3023215
FDA SRS BOD072YW0F
IBM Patent System 683651D17E97A6D797FFEB5F0F9827A8
KEGG Ligand C06812
LINCS LSM-5602
Mcule MCULE-4676929559
Metabolights MTBLC6472
MolPort MolPort-002-507-379
Nikkaji J22.137F
PDBe 3QB
PubChem 3000540
PubChem: Thomson Pharma 24702559
SureChEMBL SCHEMBL4010
ZINC ZINC000003982483

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