BURIXAFOR

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Search structure


Synonyms	Burixafor Tg-0054
Status
Molecule Category	Free-form
UNII	2G17Y0Q20G

Structure


InChI Key	QLVSJMZJSABWRX-UHFFFAOYSA-N
Smiles	Nc1cc(N2CCN(CCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1
InChI	InChI=1S/C27H51N8O3P/c28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/h19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C27H51N8O3P
Molecular Weight	566.73
AlogP	2.48
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	14.0
Polar Surface Area	151.9
Molecular species	ZWITTERION
Aromatic Rings	1.0
Heavy Atoms	39.0

Pharmacology

Mechanism of Action	Action	Reference
C-X-C chemokine receptor type 4 antagonist	ANTAGONIST	PubMed Other

Target Conservation


Protein: C-X-C chemokine receptor type 4 Description: C-X-C chemokine receptor type 4 Organism : Homo sapiens P61073 ENSG00000121966

Cross References

Resources	Reference
ChEMBL	CHEMBL3545224
FDA SRS	2G17Y0Q20G
PubChem	44479007
SureChEMBL	SCHEMBL13354172
ZINC	ZINC000140585706

CONTENTS

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