General
Preferred name
PD005454
Synonyms
(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE ()
P&D ID
PD005454
Tags
drug candidate
Drug Status
experimental
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 ]]
Compound Sets
2
DrugBank
LSP-MoA library (Laboratory of Systems Pharmacology)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
461.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
1
cLogP
1.53
TPSA
96.02
Fraction CSP3
0.56
Chiral centers
2.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
