General
Preferred name
Secoisolariciresinol
Synonyms
(-)-Secoisolariciresinol ()
(+)-SECOISOLARICIRESINOL ()
P&D ID
PD033046
CAS
29388-59-8
145265-02-7
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
3
Organisms
0
Compound Sets
8
Cayman Chemical Bioactives
33155
ChEMBL Drugs
CHEMBL368347
Drug Repurposing Hub
DrugBank
DB12179
MedChem Express Bioactive Compound Library
HY-N6071
HY-N8172
NIH Clinical Collections (NCC)
ReFrame library
TargetMol Bioactive Compound Library
TN2197
External IDs
67
Properties
(calculated by RDKit )
Molecular Weight
362.17
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
2
cLogP
2.12
TPSA
99.38
Fraction CSP3
0.4
Chiral centers
2.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Target
TNF-??
Source data