EcoDrugPlus


Synonyms	ANG 453 ANG-453 AZD 6126 AZD-6126 ZD 6126 ZM 445526 ZM-445526 Zd-6126 Zd6126
Status
Molecule Category	Free-form
UNII	GBO3S6M9W7


InChI Key	UGBMEXLBFDAOGL-INIZCTEOSA-N
Smiles	COc1cc2c(c(OC)c1OC)-c1ccc(OP(=O)(O)O)cc1[C@@H](NC(C)=O)CC2
InChI	InChI=1S/C20H24NO8P/c1-11(22)21-16-8-5-12-9-17(26-2)19(27-3)20(28-4)18(12)14-7-6-13(10-15(14)16)29-30(23,24)25/h6-7,9-10,16H,5,8H2,1-4H3,(H,21,22)(H2,23,24,25)/t16-/m0/s1

Property Name	Value
Molecular Formula	C20H24NO8P
Molecular Weight	437.39
AlogP	2.97
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	123.55
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	30.0

Resources	Reference
ChEMBL	CHEMBL257662
DrugBank	DB11872
FDA SRS	GBO3S6M9W7
PubChem	9896434
SureChEMBL	SCHEMBL1285000
ZINC	ZINC000003993833

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

ZD-6126

Structure

Physicochemical Descriptors

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