General
Preferred name
AMYGDALIN
Synonyms
Laetrile ()
P&D ID
PD021638
CAS
29883-15-6
Tags
drug candidate
natural product
available
Drug Status
withdrawn
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
7
Cayman Chemical Bioactives
26668
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
HY-N0190
ReFrame library
Selleckchem Bioactive Compound Library
Amygdalin
TargetMol Bioactive Compound Library
T2795
Withdrawn 2.0
w35
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
457.16
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
7
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
1
cLogP
-3.11
TPSA
202.32
Fraction CSP3
0.65
Chiral centers
11.0
Largest ring
6.0
QED
0.22
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
CASP3
MOA
Caspase activator
ATC
L
Source data