General
Preferred name
PD039191
Synonyms
pre-queuosine1 Dihydrochloride ()
Preq1-Dihydrochloride ()
7-Deaza-7-Aminomethyl-Guanine ()
preQ1 (dihydrochloride) ()
preQ1 (hydrochloride) ()
P&D ID
PD039191
CAS
86694-45-3
Tags
drug candidate
natural product
available
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 ]]
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
179.08
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
-0.71
TPSA
113.58
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
