General
Preferred name
METRONIDAZOLE BENZOATE
Synonyms
Benzoyl metronidazole ()
Klion suspension ()
Metronidazoli benzoas ()
P&D ID
PD098317
CAS
13182-89-3
Tags
available
drug candidate
Drug Status
experimental
investigational
Max Phase
Phase 2
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
6
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
275.09
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
1.96
TPSA
87.26
Fraction CSP3
0.23
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Parasite
Source data
