General
Preferred name
CILUPREVIR
Synonyms
Ciluprevir (BILN 2061) ()
BILN-2061 ()
BILN 2061 ZW ()
BILN-2061-ZW ()
P&D ID
PD008931
CAS
300832-84-2
Tags
drug candidate
natural product
available
Drug indication
Hepatitis virus infection
Drug Status
investigational
Max Phase
Phase 2
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Ciluprevir is used experimentally in the treatment of hepatitis C. It is manufactured by Boehringer Ingelheim Pharma GmbH & Co. kg and developed under the research code of BILN-2061. It is targeted against NS2-3 protease. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
7
AdooQ Bioactive Compound Library
A11343
BOC Sciences Bioactive Compounds
ciluprevir-cas-300832-84-2-item-84-463620
ChEMBL Drugs
CHEMBL297884
Drug Repurposing Hub
DrugBank
DB05868
DrugMAP
DM2J36F
ReFrame library
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
774.34
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
7
Aromatic Ring Count
3
cLogP
6.05
TPSA
181.31
Fraction CSP3
0.55
Chiral centers
5.0
Largest ring
15.0
QED
0.19
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
MOA
Serine Protease inhibitor
Therapeutic Class
Antiviral Agents
Solubility
In vitro:<br/>10 mM in DMSO
Source data