General
Preferred name
PNU-159682
Synonyms
PNU 159682 ()
P&D ID
PD101273
CAS
202350-68-3
Tags
available
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 PNU-159682, a metabolite of the anthracycline Nemorubicin, is a highly potent DNA topoisomerase II inhibitor with excellent cytotoxicity. PNU-159682 acts as a more potent and tolerated ADC cytotoxin than Doxorubicin for ADC synthesis. PNU-159682 can be used in EDV-nanocell technology to overcome agent resistance.
DESCRIPTION PNU-159682, a metabolite of anthracycline neomycin, is a DNA topoisomerase II inhibitor with excellent cytotoxicity. (TargetMol Bioactive Compound Library)
Compound Sets
4
AdooQ Bioactive Compound Library
A22023
Cayman Chemical Bioactives
37370
MedChem Express Bioactive Compound Library
HY-16700
TargetMol Bioactive Compound Library
T16557
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
641.21
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
7
Aromatic Ring Count
2
cLogP
0.71
TPSA
190.75
Fraction CSP3
0.53
Chiral centers
8.0
Largest ring
6.0
QED
0.28
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Target
Daunorubicins/Doxorubicins
Topoisomerase I
ADC Payload
Topoisomerase
ADC Cytotoxin
Pathway
Antibody-drug Conjugate/ADC Related
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Source data