None is not found in the database.

DANOPREVIR


Synonyms	Danoprevir R-05190591 R05190591 RO-5190591 RO5190591
Status
Molecule Category	Free-form
UNII	911Z9PCQ5F


InChI Key	ZVTDLPBHTSMEJZ-JSZLBQEHSA-N
Smiles	CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O
InChI	InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1

Property Name	Value
Molecular Formula	C35H46FN5O9S
Molecular Weight	731.84
AlogP	3.14
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	180.52
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	51.0

Mechanism of Action	Action	Reference
Hepatitis C virus serine protease, NS3/NS4A inhibitor	INHIBITOR	PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S29 family Serine protease S29 regulatory subfamily	-	0.2	-	-	-
Enzyme Protease Serine protease Serine protease PA clan Serine protease S29 family	-	0.2	-	-	-
Enzyme Protease Serine protease	-	0.2	-	9-44.8	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Hepatitis C virus	0.5-17.5	0.2-1	-	-	-
Hepatitis C virus (isolate Con1)	-	0.24-5.7	-	-	-
Hepatitis C virus genotype 2	20	-	-	-	-
Hepatitis C virus genotype 3	20	-	-	-	-
Hepatitis C virus genotype 4	-	0.2-0.2	-	-	-
Hepatitis C virus genotype 5	-	0.2-0.2	-	-	-
Hepatitis C virus genotype 6	-	0.2-0.2	-	-	-
Hepatitis C virus subtype 1a	1-2	0.2-0.7	0.13-4	1-44.8	-
Hepatitis C virus subtype 1b	0.1-82	0.2-0.2	1.6-6.5	-	-
Hepatitis C virus subtype 2b	-	0.2-1.6	-	-	-
Hepatitis C virus subtype 3a	-	0.2-3.5	0.52-21	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEMBL	CHEMBL258734
DrugBank	DB11779
FDA SRS	911Z9PCQ5F
PubChem	11285588
SureChEMBL	SCHEMBL2289034
ZINC	ZINC000029058869

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

DANOPREVIR

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References