General
Preferred name
ML086
Synonyms
P&D ID
PD016043
Tags
available
probe
Probe info
Probe selectivity
protein-selective
Probe type
experimental probe
Probe sources
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION The main aim of this project was to screen large comprehensive chemical libraries to identify lead compounds for PHOSPHO1-specific inhibitors that will enable the elucidation of the functional involvement of this enzyme in skeletal mineralization and related biological phenomena. (MLP Probes)
Compound Sets
1
MLP Probes
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
298.08
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
2.75
TPSA
42.31
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Antitarget
TNAP
Target
PHOSPHO-1
Source data