General
Preferred name
ochratoxin A
Synonyms
3R14S-OCHRATOXIN A ()
Ochratoxin A-13C20 ()
P&D ID
PD019288
CAS
303-47-9
911392-42-2
Tags
drug candidate
nuisance
natural product
available
Drug indication
Discovery agent
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 ]]
Cell lines
1
Organisms
0
Compound Sets
8
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
403.08
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
2.57
TPSA
112.93
Fraction CSP3
0.25
Chiral centers
2.0
Largest ring
6.0
QED
0.66
Structural alerts
1
Nonspecific/NOS
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
