General
Preferred name
PD181955
Synonyms
4,6-dichloro-1H-indole-2,3-dione ()
4,6-Dichloroisatin ()
P&D ID
PD181955
CAS
18711-15-4
Tags
available
drug candidate
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()] ]]
Description
(extracted from source data)
DESCRIPTION
4,6-Dichloroisatin inhibits carboxylesterase 1 (Ki = 0.89 µM), carboxylesterase 2 (Ki= 0.62 µM).
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
11
Organisms
0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
214.95
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
2.13
TPSA
46.17
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
