EcoDrugPlus


Synonyms	Ciraparantag PER-977 PER977
Status
Molecule Category	Free-form
UNII	U2R67KV65Q

Synonyms

Ciraparantag

PER-977

PER977

Status

Molecule Category

Free-form

UNII

U2R67KV65Q


InChI Key	HRDUUSCYRPOMSO-ROUUACIJSA-N
Smiles	N=C(N)NCCC[C@H](N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(=N)N)CC1
InChI	InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)/t17-,18-/m0/s1

InChI Key

HRDUUSCYRPOMSO-ROUUACIJSA-N

Smiles

N=C(N)NCCC[C@H](N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(=N)N)CC1

InChI

InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)/t17-,18-/m0/s1

Property Name	Value
Molecular Formula	C22H48N12O2
Molecular Weight	512.71
AlogP	-3.2
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	10.0
Number of Rotational Bond	18.0
Polar Surface Area	240.52
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C22H48N12O2

Molecular Weight

512.71

AlogP

-3.2

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

10.0

Number of Rotational Bond

18.0

Polar Surface Area

240.52

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

36.0

Mechanism of Action	Action	Reference
Apixaban sequestering agent	SEQUESTERING AGENT	PubMed PubMed

Mechanism of Action

Action

Reference

Apixaban sequestering agent

SEQUESTERING AGENT

PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL3544919
DrugBank	DB15199
FDA SRS	U2R67KV65Q
SureChEMBL	SCHEMBL14985871

Resources

Reference

ChEMBL

DrugBank

FDA SRS

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...

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

Last update: Monday, 3 November 2025

CIRAPARANTAG

Structure

Physicochemical Descriptors

Pharmacology

Cross References