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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2103929
CHEMBL2103929
Compound Name LYMECYCLINE
ChEMBL Synonyms LYMECYCLINE | TETRALYSAL 150 | TETRALYSAL 300
Max Phase 4 (Approved)
Trade Names TETRALYSAL 300 | TETRALYSAL 150
Molecular Formula C29H38N4O10

Additional synonyms for CHEMBL2103929 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN ...
Download SMILES
Standard InChI InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19- ...
Download InChI
Standard InChI Key AHEVKYYGXVEWNO-UEPZRUIBSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2103929

Molecule Features

CHEMBL2103929 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Acne VulgarisD000152EFO:0003894acne3ClinicalTrials
Bacterial InfectionsD001424EFO:0000771bacterial disease4ATC

Clinical Data

ClinicalTrials.gov LYMECYCLINE
The Cochrane Collaboration LYMECYCLINE

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
602.6 602.2588 -0.45 10 242.98 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 9 3 14 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.5 11.02 .75 -2.28 1 43 0.09

Structural Alerts

There are 10 structural alerts for CHEMBL2103929. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01A - TETRACYCLINES
J01AA - Tetracyclines
J01AA04 - lymecycline

ChemSpider ChemSpider:AHEVKYYGXVEWNO-UEPZRUIBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2103929



ChEBI 59040
DrugBank DB00256
DrugCentral 1619
FDA SRS 7D6EM3S13P
Human Metabolome Database HMDB0014401
Metabolights MTBLC59040
MolPort MolPort-023-299-440
Nikkaji J51.487J
SureChEMBL SCHEMBL149162
ZINC ZINC000053682936

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