EcoDrugPlus


Synonyms	(-)-DAPD Amdoxovir DAPD
Status
Molecule Category	Free-form
UNII	54I81H0M9C

Synonyms

(-)-DAPD

Amdoxovir

DAPD

Status

Molecule Category

Free-form

UNII

54I81H0M9C


InChI Key	RLAHNGKRJJEIJL-RFZPGFLSSA-N
Smiles	Nc1nc(N)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1
InChI	InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1

InChI Key

RLAHNGKRJJEIJL-RFZPGFLSSA-N

Smiles

Nc1nc(N)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1

InChI

InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1

Property Name	Value
Molecular Formula	C9H12N6O3
Molecular Weight	252.23
AlogP	-1.15
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	134.33
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C9H12N6O3

Molecular Weight

252.23

AlogP

-1.15

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

134.33

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

18.0

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 1	400-450	-	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Human immunodeficiency virus 1

400-450

Resources	Reference
ChEMBL	CHEMBL458876
DrugBank	DB06619
FDA SRS	54I81H0M9C
PubChem	124088
SureChEMBL	SCHEMBL141228
ZINC	ZINC000003919810

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

AMDOXOVIR

Structure

Physicochemical Descriptors

Pharmacology

Cross References