EcoDrugPlus


Trade Names	XENLETA
Synonyms	BC-3781.Ac Lefamulin acetate Xenleta
Status
Molecule Category	Salt-form
UNII	HDN0B924X4
EPA CompTox	DTXSID801027897
Parent Compound:	LEFAMULIN

Trade Names

XENLETA

Synonyms

BC-3781.Ac

Lefamulin acetate

Xenleta

Status

Molecule Category

Salt-form

UNII

HDN0B924X4

EPA CompTox

DTXSID801027897

Parent Compound:

LEFAMULIN


InChI Key	WSMXIQXWHPSVDE-ZPJPNJFZSA-N
Smiles	C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.CC(=O)O
InChI	InChI=1S/C28H45NO5S.C2H4O2/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28;1-2(3)4/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3;1H3,(H,3,4)/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+;/m1./s1

InChI Key

WSMXIQXWHPSVDE-ZPJPNJFZSA-N

Smiles

C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.CC(=O)O

InChI

InChI=1S/C28H45NO5S.C2H4O2/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28;1-2(3)4/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3;1H3,(H,3,4)/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+;/m1./s1

Property Name	Value
Molecular Formula	C30H49NO7S
Molecular Weight	567.79
AlogP	3.87
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	109.85
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C30H49NO7S

Molecular Weight

567.79

AlogP

3.87

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

109.85

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

35.0

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

Mechanism of Action

Action

Reference

Bacterial 70S ribosome inhibitor

INHIBITOR

FDA

Resources	Reference
CAS NUMBER	1350636-82-6
ChEMBL	CHEMBL3545309
FDA SRS	HDN0B924X4
PubChem	86346053

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

LEFAMULIN ACETATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References