General
Preferred name
SOLASODINE
Synonyms
Solancarpidine ()
Purapuridine ()
Solasodin ()
Purapuridine, Solancarpidine, Solasodin, Salasodine, Salasdine ()
P&D ID
PD012052
CAS
126-17-0
Tags
available
drug candidate
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 45
DESCRIPTION Solasodine (Purapuridine)(Purapuridine) is a poisonous alkaloid chemical compound that occurs in plants of the Solanaceae family. Solasodine showed selective cytotoxicity against cervical cancer cell line (HeLa) and human myeloid leukemia cell line (U937). (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
DrugBank
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
413.33
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
6
Aromatic Ring Count
0
cLogP
5.29
TPSA
41.49
Fraction CSP3
0.93
Chiral centers
11.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Microbiology/virology
Ubiquitination
Anti-infection
Metabolic Enzyme/Protease
Target
E1/E2/E3 Enzyme
Fungal
MDM-2/p53
Akt,MicroRNA,MMP,PI3K
Source data