EcoDrugPlus


Synonyms	KRX-0401 NSC-639966 Perifosine
Status
Molecule Category	Free-form
UNII	2GWV496552
EPA CompTox	DTXSID3048946

Synonyms

KRX-0401

NSC-639966

Perifosine

Status

Molecule Category

Free-form

UNII

2GWV496552

EPA CompTox

DTXSID3048946


InChI Key	SZFPYBIJACMNJV-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1
InChI	InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3

InChI Key

SZFPYBIJACMNJV-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1

InChI

InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3

Property Name	Value
Molecular Formula	C25H52NO4P
Molecular Weight	461.67
AlogP	6.99
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	20.0
Polar Surface Area	58.59
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C25H52NO4P

Molecular Weight

461.67

AlogP

6.99

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

20.0

Polar Surface Area

58.59

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

31.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	67.96
Rattus norvegicus	-	-	-	-	88

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

67.96

Rattus norvegicus

Resources	Reference
ChEBI	67272
ChEMBL	CHEMBL372764
DrugBank	DB06641
FDA SRS	2GWV496552
Guide to Pharmacology	7424
PubChem	148177
SureChEMBL	SCHEMBL93872

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Guide to Pharmacology

7424

PubChem

148177

SureChEMBL

SCHEMBL93872

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

PERIFOSINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References