EcoDrugPlus


Synonyms	3',5'-DIISOBUTYRYL PSI 6130 Mericitabine PSI 6130 DIISOBUTYRATE R 7128 R-7128 R7128 RG 7128 RO-5024048 RO5024048 Ro5024048; r7128
Status
Molecule Category	Free-form
UNII	TA63JX8X52


InChI Key	MLESJYFEMSJZLZ-MAAOGQSESA-N
Smiles	CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
InChI	InChI=1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1

Property Name	Value
Molecular Formula	C18H26FN3O6
Molecular Weight	399.42
AlogP	1.22
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	122.74
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	28.0

Mechanism of Action	Action	Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor	INHIBITOR	PubMed PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Hepatitis C virus	990	-	-	-	0-75.3
Hepatitis C virus subtype 2a	990-990	-	-	-	-

Resources	Reference
ChEMBL	CHEMBL562967
DrugBank	DB12045
FDA SRS	TA63JX8X52
PubChem	16122663
SureChEMBL	SCHEMBL811260
ZINC	ZINC000035307932

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

MERICITABINE

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