EcoDrugPlus


Synonyms	Creatine phosphate Creatine-p Fosfocreatine Phosphagen Phosphocreatine
Status
Molecule Category	Free-form
ATC	C01EB06
UNII	020IUV4N33
EPA CompTox	DTXSID0058776

Synonyms

Creatine phosphate

Creatine-p

Fosfocreatine

Phosphagen

Phosphocreatine

Status

Molecule Category

Free-form

ATC

C01EB06

UNII

020IUV4N33

EPA CompTox

DTXSID0058776


InChI Key	DRBBFCLWYRJSJZ-UHFFFAOYSA-N
Smiles	CN(CC(=O)O)C(=N)NP(=O)(O)O
InChI	InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)

InChI Key

DRBBFCLWYRJSJZ-UHFFFAOYSA-N

Smiles

CN(CC(=O)O)C(=N)NP(=O)(O)O

InChI

InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)

Property Name	Value
Molecular Formula	C4H10N3O5P
Molecular Weight	211.11
AlogP	-1.38
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	133.95
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C4H10N3O5P

Molecular Weight

211.11

AlogP

-1.38

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

3.0

Polar Surface Area

133.95

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	17287
ChEMBL	CHEMBL1204644
DrugBank	DB13191
DrugCentral	3464
FDA SRS	020IUV4N33
Human Metabolome Database	HMDB0001511
KEGG	C02305
SureChEMBL	SCHEMBL65424
ZINC	ZINC000003869774

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

KEGG

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FOSFOCREATINE

Structure

Physicochemical Descriptors

Cross References