General
Preferred name
PD004876
Synonyms
[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE ()
P&D ID
PD004876
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
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
466.25
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
1
cLogP
1.05
TPSA
121.75
Fraction CSP3
0.68
Chiral centers
1.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
