General
Preferred name
U-103017
Synonyms
PNU-103017 ()
P&D ID
PD067426
CAS
166335-18-8
Tags
available
drug candidate
Drug indication
Human immunodeficiency virus infection
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
0
Organisms
2
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
504.17
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
5.22
TPSA
120.4
Fraction CSP3
0.36
Chiral centers
1.0
Largest ring
8.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HIV Protease
HIV
Pathway
Metabolic Enzyme/Protease
Anti-infection
Source data
