General
Preferred name
MONOPHOSPHOTHIAMINE
Synonyms
Vitamin B1 monophosphate (chloride) ()
Thiamine monophosphate (chloride) ()
thiamine monophosphate ()
Phosphothiamin ()
Neurifosforil ()
Thiamine monophosphate chloride ()
Novaneurina ()
Sineurina ()
Phosbitamin ()
Tmp (thiamine ester) ()
Vitamin b1 monophosphate chloride ()
Novobeta ()
Superneurina ()
Extraneurina ()
Fosbione ()
Monofosfotiamina ()
P&D ID
PD143787
CAS
532-40-1
Tags
available
drug candidate
Drug Status
experimental
investigational
Max Phase
2.0
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
380.05
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
-2.27
TPSA
122.44
Fraction CSP3
0.42
Chiral centers
0.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
