General
Preferred name
BICYCLOL
Synonyms
SY801 ()
SY-801 ()
Bicyclol ()
P&D ID
PD041447
CAS
118159-48-1
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 3
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Bicyclol is a anti-hepatitis drug, used in China for chronic hepatitis B and presumably C.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
9
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
390.1
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
2.11
TPSA
101.91
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Autophagy
Target
HBV
HSPA1A, HSPB1
Indication
hepatitis B, hepatitis C
MOA
NFkB pathway inhibitor
Solubility
In Vitro:<br/>DMSO : 100 mg/mL(256.19 mM
Need ultrasonic)<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 (6.40 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 (6.40 mM)
Suspended solution
Need ultrasonic<br/>3.Add each solvent one by one:10% DMSO >> 90%corn oil<br/>Solubility: ≥ 2.5 mg/mL (6.40 mM)
Clear solution
Source data
