lymecycline

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Ligands
lymecycline

GtoPdb Ligand ID: 10912

Synonyms: N-Lysinomethyltetracycline | tetracycline-L Methylene-Lysine | Tetralysal®

lymecycline is an approved drug (UK (1995))

Comment: Lymecycline is a tetracycline-based broad-spectrum antibacterial [3]. It is substantially more soluble than tetracycline, so can be used at lower doses. Lymecycline also has anti-protozoal activity.

lymecycline is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	13
Hydrogen bond donors	9
Rotatable bonds	11
Topological polar surface area	242.98
Molecular weight	602.26
XLogP	-1.85
No. Lipinski's rules broken	2

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	N[C@H](C(=O)O)CCCCNCNC(=O)C1=C(O)[C@@]2([C@H]([C@@H](C1=O)N(C)C)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O
Isomeric SMILES	N[C@H](C(=O)O)CCCCNCNC(=O)C1=C(O)[C@@]2([C@H]([C@@H](C1=O)N(C)C)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O
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/h6-7,9,14-16,21,31,34-35,38,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1
InChI Key	PZTCVADFMACKLU-UEPZRUIBSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)