General
Preferred name
Cyclo(his-pro)
Synonyms
Cyclo(histidyl-proline) ()
Histidylproline diketopiperazine ()
Cyclo(his-pro) (TFA) ()
Cyclo(histidyl-proline) (TFA) ()
Histidylproline diketopiperazine (TFA) ()
Cyclo(L-His-L-Pro) ()
P&D ID
PD060058
CAS
936749-56-3
53109-32-3
Tags
drug candidate
natural product
available
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
3
Cayman Chemical Bioactives
DrugBank
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
234.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
1
cLogP
0.28
TPSA
81.58
Fraction CSP3
0.55
Chiral centers
2.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
NF-¦ÊB
Endogenous Metabolite
Pathway
NF-??
Metabolic Enzyme/Protease
NF-κB
Source data
