General
Preferred name
PD059653
Synonyms
N2-[(Benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxo-3-pyrrolidinyl]-L-leucinamide ()
P&D ID
PD059653
Tags
covalent binder
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 ]]
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free of charge
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
594.31
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
13
Ring Count
3
Aromatic Ring Count
2
cLogP
4.81
TPSA
153.61
Fraction CSP3
0.47
Chiral centers
3.0
Largest ring
6.0
QED
0.22
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
