EcoDrugPlus


Synonyms	Ampalex BDP 12 BDP-12 CX 516 CX-516 Cx516
Status
Molecule Category	Free-form
UNII	Z5QU38B4V9
EPA CompTox	DTXSID70165574


InChI Key	ANDGGVOPIJEHOF-UHFFFAOYSA-N
Smiles	O=C(c1ccc2nccnc2c1)N1CCCCC1
InChI	InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2

Property Name	Value
Molecular Formula	C14H15N3O
Molecular Weight	241.29
AlogP	2.26
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	46.09
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Resources	Reference
ChEBI	34605
ChEMBL	CHEMBL136800
DrugBank	DB06247
FDA SRS	Z5QU38B4V9
Guide to Pharmacology	4165
KEGG	C13675
PDB	CX5
PubChem	148184
SureChEMBL	SCHEMBL194605
ZINC	ZINC000000006489

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

CX516

Structure

Physicochemical Descriptors

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