EcoDrugPlus


Synonyms	Lufotrelvir PF-07304814 Pf-07304814
Status
Molecule Category	Free-form
UNII	XJ51YOB1SC

Synonyms

Lufotrelvir

PF-07304814

Pf-07304814

Status

Molecule Category

Free-form

UNII

XJ51YOB1SC


InChI Key	FQKALOFOWPDTED-WBAXXEDZSA-N
Smiles	COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COP(=O)(O)O)cc12
InChI	InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1

InChI Key

FQKALOFOWPDTED-WBAXXEDZSA-N

Smiles

COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COP(=O)(O)O)cc12

InChI

InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1

Property Name	Value
Molecular Formula	C24H33N4O9P
Molecular Weight	552.52
AlogP	1.01
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	13.0
Polar Surface Area	196.15
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C24H33N4O9P

Molecular Weight

552.52

AlogP

1.01

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

13.0

Polar Surface Area

196.15

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

38.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Severe acute respiratory syndrome coronavirus 2	-	-	-	0.27	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Severe acute respiratory syndrome coronavirus 2

0.27

Resources	Reference
ChEMBL	CHEMBL4802214
FDA SRS	XJ51YOB1SC

Resources

Reference

ChEMBL

CHEMBL4802214

FDA SRS

XJ51YOB1SC

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

LUFOTRELVIR

Structure

Physicochemical Descriptors

Pharmacology

Cross References