EcoDrugPlus


Synonyms	DPC-817 Dexelvucitabine INCB-8721 Reverset YZ-817
Status
Molecule Category	Free-form
UNII	KU8SPJ271W
EPA CompTox	DTXSID20158678


InChI Key	HSBKFSPNDWWPSL-CAHLUQPWSA-N
Smiles	Nc1nc(=O)n([C@H]2C=C[C@@H](CO)O2)cc1F
InChI	InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1

Property Name	Value
Molecular Formula	C9H10FN3O3
Molecular Weight	227.19
AlogP	-0.59
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	90.37
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Mechanism of Action	Action	Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor	INHIBITOR	ClinicalTrials

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human immunodeficiency virus	200	-	-	-	-
Human immunodeficiency virus 1	46-75	-	-	-	-

Resources	Reference
ChEMBL	CHEMBL109831
DrugBank	DB12470
FDA SRS	KU8SPJ271W
PubChem	64973
SureChEMBL	SCHEMBL599014
ZINC	ZINC000000002300

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

DEXELVUCITABINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References