General
Preferred name
DACLATASVIR
Synonyms
EBP 883 ()
BMS-790052 ()
Daklinza ()
BMS-790052 dihydrochloride ()
DACLATASVIR DIHYDROCHLORIDE ()
Daclatasvir (dihydrochloride) ()
Daclatasvir (BMS-790052) ()
BMS-790052 (dihydrochloride) ()
EBP 883 (dihydrochloride) ()
EBP883 ()
BMS 790052 ()
EBP-883 ()
BMS-790052-05 ()
BMS 790052-05 ()
Daclatasvir hydrochloride ()
Daclatasvir-d6 ()
P&D ID
PD011172
CAS
1009119-64-5
1009119-65-6
1801709-41-0
Tags
available
drug
Approved by
EMA
FDA
First approval
2015
2014
Drug Status
investigational
approved
withdrawn
Drug indication
Hepatitis C virus infection
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
INDICATION Indicated for use with sofosbuvir, with or without ribavirin, for the treatment of chronic HCV genotype 1a/b or 3 infection. The dosing regimen of 60mg daclatasvir 60 mg with 400mg sofosbuvir once a day is recommended for both genontypes. ; ; Resistance: Reduced susceptibility to daclatasvir was associated with the polymorphisms at NS5A amino acid positions M28, Q30, L31, and Y93 in genotypes 1a, 1b, and 3a patients. NS5A Resistance Testing is recommended for HCV genotype 1a-infected patients with cirrhosis prior to the initiaition of the treatment, as the risk of resistance development is higher in genotype 1a patients.
METABOLISM Daclastavir is a substrate of CYP3A enzymes where its metabolism is predominantly mediated by CYP3A4 isoform. Oxidative pathways included δ-oxidation of the pyrrolidine moiety, resulting in ring opening to an aminoaldehyde intermediate followed by an intramolecular reaction between the aldehyde and the proximal imidazole nitrogen atom [A19642]. High proportion of the drug in the plasma (greater than 97%) is in the unchanged form. ;
DESCRIPTION Daclatasvir is an orally available anti-hepatitis C virus (HCV) drug, It is a direct-acting inhibitor of the non-structural protein 5A (NS5A) replication complex of HCV . Blocking NS5A function inhibits viral RNA replication and virion assembly. (GtoPdb)
DESCRIPTION Daclatasvir, inhibits the HCV protein NS5A, and thus can be used as a drug candidate for the treatment of hepatitis C (HCV). (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
2
Compound Sets
18
AdooQ Bioactive Compound Library
A10159
Axon Medchem Screening Library
2093
BOC Sciences Bioactive Compounds
daclatasvir-cas-1009119-64-5-item-84-408940
Cayman Chemical Bioactives
23730
29077
ChEMBL Approved Drugs
CHEMBL2023898
CHEMBL2303621
ChEMBL Drugs
CHEMBL2023898
CHEMBL2303621
Drug Repurposing Hub
DrugBank
DB09102
DrugBank Approved Drugs
DB09102
DrugCentral
4875
DrugCentral Approved Drugs
4875
DrugMAP
DMSFK9V
DrugMAP Approved Drugs
DMSFK9V
Guide to Pharmacology
11266
MedChem Express Bioactive Compound Library
HY-10466
HY-10465
ReFrame library
Selleckchem Bioactive Compound Library
BMS-790052
daclatasvir-dihydrochloride
TargetMol Bioactive Compound Library
T6229
T1786
External IDs
53
Properties
(calculated by RDKit )
Molecular Weight
738.39
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
11
Ring Count
6
Aromatic Ring Count
4
cLogP
6.22
TPSA
174.64
Fraction CSP3
0.45
Chiral centers
4.0
Largest ring
6.0
QED
0.14
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Proteases/Proteasome
Anti-infection
Target
HCV NS5A
HCV NS5A protein inhibitor
HCV
HCV Protease
Indication
hepatitis C
MOA
HCV inhibitor
Solubility
In Vitro:<br/>DMSO : ≥ 40 mg/mL(54.14 mM)<br/>In Vivo:<br/>1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline<br/>Solubility: ≥ 2.5 mg/mL (3.38 mM)
Clear solution<br/>2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline)<br/>Solubility: ≥ 2.5 mg/mL (3.38 mM)
Clear solution<br/>3.Add each solvent one by one:10% DMSO >> 90%corn oil<br/>Solubility: ≥ 2.5 mg/mL (3.38 mM)
Clear solution
Source data