General
Preferred name
ISATIN
Synonyms
Indoline-2,3-dione ()
2,3-Indolinedione ()
Pseudoisatin ()
1H-Indole-2,3-dione ()
P&D ID
PD008558
CAS
91-56-5
5815-00-9
Tags
covalent binder
natural product
drug candidate
available
Drug indication
Discovery agent
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Isatin is an indole derivative used as an intermediate. It also acts as an endogenous MAO inhibitor with an IC50 value of 15 μM.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
0
Compound Sets
7
BOC Sciences Bioactive Compounds
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Molecular Weight
147.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
0.82
TPSA
46.17
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Neuroscience
Apoptosis
Neuronal Signaling
Target
MAO
Monoamine Oxidase
MOA
MAO inhibitor
Source data
