ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908350
CHEMBL1908350
Compound Name ROKITAMYCIN
ChEMBL Synonyms ROKITAMYCIN
Max Phase 0
Trade Names
Molecular Formula C42H69NO15

Additional synonyms for CHEMBL1908350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@ ...
Download SMILES
Standard InChI InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40 ...
Download InChI
Standard InChI Key VYWWNRMSAPEJLS-MDWYKHENSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1908350

Molecule Features

CHEMBL1908350 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ROKITAMYCIN
The Cochrane Collaboration ROKITAMYCIN

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
828 827.4667 3.16 13 206.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 3 2 16 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.06 7.4 3.62 3.36 0 58 0.14

Structural Alerts

There are 9 structural alerts for CHEMBL1908350. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01F - MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA - Macrolides
J01FA12 - rokitamycin

ChemSpider ChemSpider:VYWWNRMSAPEJLS-MDWYKHENSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908350



ACToR 74014-51-0
ChEBI 32103
DrugCentral 2398
EPA CompTox Dashboard DTXSID6023521
FDA SRS ZPT03UEM0E
PubChem 5282211
PubChem: Drugs of the Future 12012977
PubChem: Thomson Pharma 14865109
SureChEMBL SCHEMBL136367
ZINC ZINC000169676935

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