General
Preferred name
PENTHIENATE
Synonyms
PENTHIENATE BROMIDE ()
Penthienate ion ()
Penthienate cation ()
Monodral bromide ()
NSC-61814 ()
P&D ID
PD072770
CAS
22064-27-3
Tags
drug
drug candidate
Drug Status
approved
experimental
Drug indication
Gastrointestinal disease
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
4
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
340.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
1
cLogP
3.16
TPSA
46.53
Fraction CSP3
0.72
Chiral centers
1.0
Largest ring
5.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
