MUPIROCIN


Trade Names	BACTROBAN CENTANY MUPIROCIN
Synonyms	BRL 4910A BRL-4910A Bactoderm Bactroban Centany Mupirocin NSC-759182 Pseudomonic acid Trans-pseudomonic acid Turixin
Status
Molecule Category	Free-form
ATC	D06AX09 R01AX06
UNII	D0GX863OA5
EPA CompTox	DTXSID0046438


InChI Key	MINDHVHHQZYEEK-HBBNESRFSA-N
Smiles	C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1

Property Name	Value
Molecular Formula	C26H44O9
Molecular Weight	500.63
AlogP	2.59
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	16.0
Polar Surface Area	146.05
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	35.0

Mechanism of Action	Action	Reference
Isoleucyl-tRNA synthetase inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Ligase	-	0.8	-	2.5-250	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	-	0.8	-	2.5	-
Spinacia oleracea	-	-	-	-	75
Thermus thermophilus HB8	-	-	-	60-250	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	7025
ChEMBL	CHEMBL719
DrugBank	DB00410
DrugCentral	1857
FDA SRS	D0GX863OA5
Human Metabolome Database	HMDB0014554
Guide to Pharmacology	10916
KEGG	C11758
PDB	MRC
PharmGKB	PA164764568
PubChem	446596
SureChEMBL	SCHEMBL3291
ZINC	ZINC000004102194

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...

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Last update: Monday, 3 November 2025

MUPIROCIN

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References