EcoDrugPlus


Synonyms	Combretastatin a-4 phosphate Combretastatin a4 phosphate Fosbretabulin Phosbretabulin
Status
Molecule Category	Free-form
UNII	I5590ES2QZ


InChI Key	WDOGQTQEKVLZIJ-WAYWQWQTSA-N
Smiles	COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O
InChI	InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5-

Property Name	Value
Molecular Formula	C18H21O8P
Molecular Weight	396.33
AlogP	3.36
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	103.68
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	27.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	4.5-42	-	-	-
Mus musculus	-	-	-	-	62.7
Rattus norvegicus	7	-	-	-	-

Resources	Reference
ChEMBL	CHEMBL1206232
DrugBank	DB12577
FDA SRS	I5590ES2QZ
Guide to Pharmacology	8857
PubChem	5351387
SureChEMBL	SCHEMBL66079
ZINC	ZINC000001543513

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

FOSBRETABULIN

Structure

Physicochemical Descriptors

Pharmacology

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