General
Preferred name
PD020570
Synonyms
15-deoxy-Delta(12, 14)-prostaglandin J(2) ()
15-deoxy-Δ-12,14-prostaglandin J2 ()
15-deoxy-.DELTA.12,14-Prostaglandin J2 ()
15-deoxy-.DELTA.12,14-Prostaglandin J2-d4 ()
15-deoxy-?12,14-Prostaglandin J2-d9 ()
P&D ID
PD020570
CAS
87-57-0
87893-55-8
1542166-82-4
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
316.2
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
11
Ring Count
1
Aromatic Ring Count
0
cLogP
5.01
TPSA
54.37
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
5.0
QED
0.33
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
