General
Preferred name
XANTHINOL NIACINATE
Synonyms
Complamin ()
Angioamin ()
Xanthinol Nicotinate ()
Complamin, Angioamin ()
Complamin Ret ()
Xantinol nicotinate ()
NSC-113217 ()
P&D ID
PD002947
CAS
437-74-1
Tags
available
natural product
drug
Drug Status
approved
Max Phase
Phase 4
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
7
ChEMBL Approved Drugs
ChEMBL Drugs
DrugMatrix
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
434.19
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
3
cLogP
-1.5
TPSA
155.71
Fraction CSP3
0.42
Chiral centers
1.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
