EcoDrugPlus


Synonyms	Efient LY-640315 NSC-759625 Prasugrel
Status
Molecule Category	Free-form
ATC	B01AC22
UNII	34K66TBT99

Synonyms

Efient

LY-640315

NSC-759625

Prasugrel

Status

Molecule Category

Free-form

ATC

B01AC22

UNII

34K66TBT99


InChI Key	DTGLZDAWLRGWQN-UHFFFAOYSA-N
Smiles	CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2
InChI	InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3

InChI Key

DTGLZDAWLRGWQN-UHFFFAOYSA-N

Smiles

CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2

InChI

InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3

Property Name	Value
Molecular Formula	C20H20FNO3S
Molecular Weight	373.45
AlogP	3.89
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	46.61
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C20H20FNO3S

Molecular Weight

373.45

AlogP

3.89

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

5.0

Polar Surface Area

46.61

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

26.0

Resources	Reference
ChEBI	87723
ChEMBL	CHEMBL1201772
DrugBank	DB06209
DrugCentral	4113
FDA SRS	34K66TBT99
Human Metabolome Database	HMDB0015625
Guide to Pharmacology	7562
PharmGKB	PA154410481
PubChem	6918456
SureChEMBL	SCHEMBL245032

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0015625

Guide to Pharmacology

PharmGKB

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...

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

Last update: Monday, 3 November 2025

PRASUGREL

Structure

Physicochemical Descriptors

Metabolites Network

Cross References