General
Preferred name
JE-2147
Synonyms
KNI-764 ()
P&D ID
PD059893
CAS
186538-00-1
Tags
available
drug candidate
Drug indication
Human immunodeficiency virus infection
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
1
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
575.25
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
3
cLogP
5.12
TPSA
125.95
Fraction CSP3
0.34
Chiral centers
3.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
