General
Preferred name
ALLICIN
Synonyms
diallyl thiosulfinate ()
P&D ID
PD051824
CAS
539-86-6
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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 From garlic (GtoPdb)
Cell lines
5
Organisms
4
Compound Sets
13
Cayman Chemical Bioactives
15570
ChEMBL Drugs
CHEMBL359965
Concise Guide to Pharmacology 2017/18
2419
Concise Guide to Pharmacology 2019/20
2419
Concise Guide to Pharmacology 2021/22
2419
Concise Guide to Pharmacology 2023/24
2419
DrugBank
DB11780
DrugMAP
DMSOJ6H
DrugMatrix
Guide to Pharmacology
2419
MedChem Express Bioactive Compound Library
HY-N0315
ReFrame library
Selleckchem Bioactive Compound Library
allicin
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
162.02
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
1.76
TPSA
17.07
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
0.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
antibiotic
Bacterial
Fungal
Source data