EcoDrugPlus


Synonyms	Bis-poc-pmpa aspartate CKD-390 Ckd-390 Gs 4331 aspartate Tenofovir disoproxil aspartate
Status
Molecule Category	Salt-form
UNII	F06G7ZBB70

Synonyms

Bis-poc-pmpa aspartate

CKD-390

Ckd-390

Gs 4331 aspartate

Tenofovir disoproxil aspartate

Status

Molecule Category

Salt-form

UNII

F06G7ZBB70


InChI Key	CCIDLBRRXVNEDK-KJTVYDLOSA-N
Smiles	CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.N[C@@H](CC(=O)O)C(=O)O
InChI	InChI=1S/C19H30N5O10P.C4H7NO4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-2(4(8)9)1-3(6)7/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);2H,1,5H2,(H,6,7)(H,8,9)/t14-;2-/m10/s1

InChI Key

CCIDLBRRXVNEDK-KJTVYDLOSA-N

Smiles

CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C19H30N5O10P.C4H7NO4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-2(4(8)9)1-3(6)7/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);2H,1,5H2,(H,6,7)(H,8,9)/t14-;2-/m10/s1

Property Name	Value
Molecular Formula	C23H37N6O14P
Molecular Weight	652.55
AlogP	3.04
Hydrogen Bond Acceptor	15.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	13.0
Polar Surface Area	185.44
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C23H37N6O14P

Molecular Weight

652.55

AlogP

3.04

Hydrogen Bond Acceptor

15.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

13.0

Polar Surface Area

185.44

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

35.0

Resources	Reference
ChEMBL	CHEMBL4594453
FDA SRS	F06G7ZBB70
PubChem	73291783

Resources

Reference

ChEMBL

CHEMBL4594453

FDA SRS

F06G7ZBB70

PubChem

73291783

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

TENOFOVIR DISOPROXIL ASPARTATE

Structure

Physicochemical Descriptors

Cross References