EcoDrugPlus


Synonyms	Isaxonine phosphate Nerfactor
Status
Molecule Category	Salt-form
UNII	S52Q6EHI7F
EPA CompTox	DTXSID70215861

Synonyms

Isaxonine phosphate

Nerfactor

Status

Molecule Category

Salt-form

UNII

S52Q6EHI7F

EPA CompTox

DTXSID70215861


InChI Key	CXEBHWXMQKIKPJ-UHFFFAOYSA-N
Smiles	CC(C)Nc1ncccn1.O=P(O)(O)O
InChI	InChI=1S/C7H11N3.H3O4P/c1-6(2)10-7-8-4-3-5-9-7;1-5(2,3)4/h3-6H,1-2H3,(H,8,9,10);(H3,1,2,3,4)

InChI Key

CXEBHWXMQKIKPJ-UHFFFAOYSA-N

Smiles

CC(C)Nc1ncccn1.O=P(O)(O)O

InChI

InChI=1S/C7H11N3.H3O4P/c1-6(2)10-7-8-4-3-5-9-7;1-5(2,3)4/h3-6H,1-2H3,(H,8,9,10);(H3,1,2,3,4)

Property Name	Value
Molecular Formula	C7H14N3O4P
Molecular Weight	235.18
AlogP	1.3
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	37.81
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H14N3O4P

Molecular Weight

235.18

AlogP

1.3

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

37.81

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

10.0

Resources	Reference
ChEMBL	CHEMBL1697751
FDA SRS	S52Q6EHI7F
PubChem	163093
SureChEMBL	SCHEMBL4537710

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

ISAXONINE PHOSPHATE

Structure

Physicochemical Descriptors

Cross References