EcoDrugPlus


Trade Names	TIGECYCLINE TYGACIL
Synonyms	Tigecycline Tygacil WAY-GAR-936
Status
Molecule Category	Free-form
ATC	J01AA12
UNII	70JE2N95KR
EPA CompTox	DTXSID2048581


InChI Key	FPZLLRFZJZRHSY-HJYUBDRYSA-N
Smiles	CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
InChI	InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

Property Name	Value
Molecular Formula	C29H39N5O8
Molecular Weight	585.66
AlogP	0.51
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	6.0
Polar Surface Area	205.76
Molecular species	ZWITTERION
Aromatic Rings	1.0
Heavy Atoms	42.0

Mechanism of Action	Action	Reference
Bacterial 70S ribosome inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Unclassified protein	-	-	-	-	40

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium falciparum	-	699.11	-	-	-

Resources	Reference
ChEBI	149836
ChEMBL	CHEMBL376140
DrugBank	DB00560
DrugCentral	2661
FDA SRS	70JE2N95KR
Human Metabolome Database	HMDB0014700
Guide to Pharmacology	10929
KEGG	C12012
SureChEMBL	SCHEMBL101795
ZINC	ZINC000014879972

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TIGECYCLINE

Structure

Physicochemical Descriptors

Pharmacology

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