General
Preferred name
CORALYNE
Synonyms
Coralyne chloride hydrate ()
Coralyne (chloride) ()
Coralyne chloride ()
P&D ID
PD053420
CAS
38989-38-7
6872-73-7
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)
PRICE 105
DESCRIPTION Coralyne chloride is a protoberberine with strong anticancer activity. It can be used to prepare Coralyne derivatives, a fluorescent DNA-based molecular rectifier built into DNA duplexes through site-specific insertion. It acts as a topoisomerase I toxic molecule, inducing topoisomerase I-mediated DNA cleavage. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-118581
Other bioactive compounds
TargetMol Bioactive Compound Library
T31011
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
364.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
4
cLogP
4.07
TPSA
41.02
Fraction CSP3
0.23
Chiral centers
0.0
Largest ring
6.0
QED
0.31
Structural alerts
1
het_pyridiniums_B(2)
[#6]:1:2:[!#1]:[#7+](:[!#1]:[#6;!H0,$([#6]-[*])](:[!#1]:1:[#6]:[#6]:[#6]:[#6]:2))~[#6]:[#6]
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Target
Topoisomerase
Topoisomerase I
Pathway
Cell Cycle/DNA Damage
DNA Damage/DNA Repair
Source data