General
Preferred name
Pyrrole-2-Carboxylate
Synonyms
2-Pyrrolecarboxylic acid ()
Minaline ()
Pyrrole-2-carboxylic acid ()
P&D ID
PD059932
CAS
634-97-9
Tags
available
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Pyrrole-2-carboxylic acid is a natural alkaloid from the marine bacterium Pelomonas puraquae sp. Nov.
PRICE 90
DESCRIPTION Pyrrole-2-carboxylic acid (Minaline) was first identified as a degradation product of sialic acids, then as a derivative of the oxidation of the D-hydroxyproline isomers by mammalian D-amino acid oxidase. The latter relationship results from the lability of the direct oxidation product, A'-pyrroline-4-hydroxy-2-carboxylic acid, which loses water spontaneously to form the pyrrole. A similar reaction is catalyzed by the more specific allohydroxy-D-proline oxidase of Pseudomonas. In whole animal observations, pyrrole-2-carboxylate (PCA) ' was identified in rat or human urine after administration of the D-isomers of hydroxyproline, a finding ascribable to the action of D-amino acid oxidase. Urinary excretion of N-(pyrrole-2-carboxyl) glycine has been reported in a 5-year-old affected with type II hyperprolinemia; The child has mild developmental delay, recurrent seizures of the grand mal type and EEG alterations. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
4
DrugBank
DB02543
MedChem Express Bioactive Compound Library
HY-W001963
Selleckchem Bioactive Compound Library
pyrrole-2-carboxylic-acid
TargetMol Bioactive Compound Library
T4716
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
111.03
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.71
TPSA
53.09
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.56
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data