General
Preferred name
COCARBOXYLASE
Synonyms
Aneurinepyrophosphoric acid ()
Thiamine pyrophosphate chloride ()
Thiamine pyrophosphate ()
THIAMIN DIPHOSPHATE ()
Thiamine pyrophosphate hydrochloride ()
cocarboxylase hydrochloride ()
Coenzymate ()
Pyrophosphoric ester of thiamine ()
Co-Carboxylase ()
Thiamine diphosphate ()
Thiamine Pyrophosphate (chloride) ()
P&D ID
PD014806
CAS
154-87-0
136-08-3
Tags
available
drug candidate
Drug indication
Discovery agent
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
10
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
49
Properties
(calculated by RDKit )
Molecular Weight
425.04
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
2
cLogP
0.84
TPSA
168.97
Fraction CSP3
0.42
Chiral centers
1.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
Vitamin
MOA
Endogenous Metabolite
Indication
anemia
Source data
