General
Preferred name
PANTOTHENIC ACID, RACEMIC
Synonyms
pantothenic acid ()
CALCIUM PANTOTHENATE, RACEMIC ()
Calcium pantothenate,racemic ()
P&D ID
PD008877
CAS
131346-21-9
6381-63-1
305808-23-5
137-08-6
599-54-2
867-81-2
63409-48-3
Tags
drug candidate
natural product
available
Drug indication
Vitamin (enzyme co-factor)
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PHARMACODYNAMICS Pantothenic acid is used in the synthesis of coenzyme A (CoA). CoA is thought to act as a carrier molecule, allowing the entry of acyl groups into cells. This is of critical importance as these acyl groups are used as substrates in the tricarboxylic acid cycle to generate energy and in the synthesis of fatty acids, cholesterol, and acetylcholine. Additionally, CoA is part of acyl carrier protein (ACP), which is required in the synthesis of fatty acids in addition to CoAs use as a substrate. ; ; Pantothenic acid in the form of CoA is also required for acylation and acetylation, which, for example, are involved in signal transduction and enzyme activation and deactivation, respectively.; ; Since pantothenic acid participates in a wide array of key biological roles, it may have numerous wide-ranging effects.
ABSORPTION Dietary pantothenic acid is primarily in the form of CoA or ACP and must be converted into free pantothenic acid for absorption. CoA and ACP are hydrolyzed into 4'-phosphopantetheine which is then dephosphorylated into pantetheine and subsequently hydrolyzed again to free pantothenic acid by Pantetheinase in the intestinal lumen. Free pantothenic acid is absorbed into intestinal cells via a saturable, sodium-dependent active transport system with passive diffusion acting as a secondary pathway. As intake increases up to 10-fold absorption rate can decrease to as low as 10% due to transporter saturation.
Compound Sets
3
ChEMBL Drugs
CHEMBL2110806
CHEMBL2106125
DrugMatrix
Other bioactive compounds
External IDs
51
Properties
(calculated by RDKit )
Molecular Weight
219.11
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.04
TPSA
106.86
Fraction CSP3
0.78
Chiral centers
1.0
Largest ring
0.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data