LYMECYCLINE


Synonyms	Ciclolysal Ciclolysine Lymecycline Mucomycin Tetracycline-l-methylenelysine Tetracyclinemethylenelysine Tetralysal Tetralysal 150 Tetralysal 300
Status
Molecule Category	Free-form
ATC	J01AA04
UNII	7D6EM3S13P


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	AHEVKYYGXVEWNO-UEPZRUIBSA-N
Smiles	CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
InChI	InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H38N4O10
Molecular Weight	602.64
AlogP	-0.45
Hydrogen Bond Acceptor	12.0
Hydrogen Bond Donor	9.0
Number of Rotational Bond	10.0
Polar Surface Area	242.98
Molecular species	ZWITTERION
Aromatic Rings	1.0
Heavy Atoms	43.0

Related Entries

Cross References

Resources	Reference
ChEBI	59040
ChEMBL	CHEMBL2103929
DrugBank	DB00256
DrugCentral	1619
FDA SRS	7D6EM3S13P
Human Metabolome Database	HMDB0014401
Guide to Pharmacology	10912
SureChEMBL	SCHEMBL149162
ZINC	ZINC000053682936

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).