ALOVUDINE


Synonyms	Alovudine CL 184,824 CL 184824 CL-184,824 CL-184824 NSC-140025
Status
Molecule Category	Free-form
UNII	PG53R0DWDQ
EPA CompTox	DTXSID4046579


InChI Key	UXCAQJAQSWSNPQ-XLPZGREQSA-N
Smiles	Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
InChI	InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1

Property Name	Value
Molecular Formula	C10H13FN2O4
Molecular Weight	244.22
AlogP	-0.54
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	84.32
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	-	-	-	0-62.4

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	1-1	-	-	-	-
Human immunodeficiency virus 1	2-800	2-107.3	-	-	-
Human immunodeficiency virus type 2 (ISOLATE ROD)	18	-	-	-	-
Mus musculus	-	81	-	-	-
Mycobacterium tuberculosis H37Ra	-	-	-	-	0

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEMBL	CHEMBL105318
DrugBank	DB06198
FDA SRS	PG53R0DWDQ
PubChem	33039
SureChEMBL	SCHEMBL133722
ZINC	ZINC000001725270

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...

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Last update: Monday, 3 November 2025

ALOVUDINE

Structure

Physicochemical Descriptors

Pharmacology

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