EcoDrugPlus


Synonyms	Antineoplaston a 10 Antineoplaston a10 Atengenal
Status
Molecule Category	Free-form
UNII	16VY3TM7ZO

Synonyms

Antineoplaston a 10

Antineoplaston a10

Atengenal

Status

Molecule Category

Free-form

UNII

16VY3TM7ZO


InChI Key	OQGRFQCUGLKSAV-JTQLQIEISA-N
Smiles	O=C1CC[C@H](NC(=O)Cc2ccccc2)C(=O)N1
InChI	InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)/t10-/m0/s1

InChI Key

OQGRFQCUGLKSAV-JTQLQIEISA-N

Smiles

O=C1CC[C@H](NC(=O)Cc2ccccc2)C(=O)N1

InChI

InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)/t10-/m0/s1

Property Name	Value
Molecular Formula	C13H14N2O3
Molecular Weight	246.27
AlogP	0.15
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	75.27
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C13H14N2O3

Molecular Weight

246.27

AlogP

0.15

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

75.27

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

18.0

Resources	Reference
ChEMBL	CHEMBL1980825
DrugBank	DB11702
FDA SRS	16VY3TM7ZO
SureChEMBL	SCHEMBL20772654
ZINC	ZINC000001590366

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

ZINC

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

ANTINEOPLASTON A10

Structure

Physicochemical Descriptors

Cross References