General
Preferred name
ZOPTARELIN DOXORUBICIN
Synonyms
AEZS-108 ()
ZOPTARELIN DOXORUBICIN ACETATE ()
AN-152 ()
ZEN-008 ()
D-81858 ()
AN-52 ()
P&D ID
PD164215
CAS
139570-93-7
Tags
drug candidate
Drug indication
Acute lymphoblastic leukaemia
Drug Status
investigational
Max Phase
Phase 3
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
AEZS-108, also known as AN-152 or zoptarelin doxorubicin, is a peptide agonist of the gonadotropin releasing hormone-1 receptor (GnRH-1R). Zoptarelin doxorubicin binds to GnRH-1Rs, which may be highly expressed on endometrial and ovarian tumor cell membrane surfaces, and is internalized. Once inside the cell, the doxorubicin moiety of this agent intercalates into DNA and inhibits the topoisomerase II activity, which may result in the inhibition of tumor cell DNA replication and tumor cell proliferation.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
ChEMBL Drugs
DrugBank
DrugMAP
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
1891.84
Hydrogen Bond Acceptors
29
Hydrogen Bond Donors
23
Rotatable Bonds
46
Ring Count
11
Aromatic Ring Count
6
cLogP
-2.79
TPSA
713.37
Fraction CSP3
0.49
Chiral centers
15.0
Largest ring
6.0
QED
0.01
QED
0.01
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
