EcoDrugPlus


Synonyms	AVX-754 Apricitabine BCH-10618 BCH-10652, (-)- SPD -754
Status
Molecule Category	Free-form
UNII	K1YX059ML1
EPA CompTox	DTXSID60166974

Synonyms

AVX-754

Apricitabine

BCH-10618

BCH-10652, (-)-

SPD -754

Status

Molecule Category

Free-form

UNII

K1YX059ML1

EPA CompTox

DTXSID60166974


InChI Key	RYMCFYKJDVMSIR-RNFRBKRXSA-N
Smiles	Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1
InChI	InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1

InChI Key

RYMCFYKJDVMSIR-RNFRBKRXSA-N

Smiles

Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1

InChI

InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1

Property Name	Value
Molecular Formula	C8H11N3O3S
Molecular Weight	229.26
AlogP	-0.59
Hydrogen Bond Acceptor	7.0
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	15.0

Property Name

Value

Molecular Formula

C8H11N3O3S

Molecular Weight

229.26

AlogP

-0.59

Hydrogen Bond Acceptor

7.0

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

15.0

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

Mechanism of Action

Action

Reference

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

INHIBITOR

PubMed PubMed PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human immunodeficiency virus	100	-	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Human immunodeficiency virus

100

Resources	Reference
ChEMBL	CHEMBL210651
DrugBank	DB12855
FDA SRS	K1YX059ML1
PubChem	455041
SureChEMBL	SCHEMBL1101075
ZINC	ZINC000003779991

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

APRICITABINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References