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Compound Detail

CHEMBL673

PARGYLINE
💊 Approved Drug
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💊 Approved Drug
C#CCN(C)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL673
Name PARGYLINE
Phase Approved
Structure Type MOL
InChI Key DPWPWRLQFGFJFI-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Eutron Pargilina Pargyline
7
Targets
69
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications

Molecular Properties

159.2
MW (Da)
1.75
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Discontinued
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Year 1962

Extended Properties

Molecular Formula C11H13N
MW 159.23
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.41

Indications

Hypertension

ATC Classification

C02KC01
pargyline
Level 1: CARDIOVASCULAR SYSTEM
Level 2: ANTIHYPERTENSIVES

Activity Summary

IC50 60 meas. best 8.09
Ki 8 meas. best 7.69
Kd 1 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 8.09 6.7464 8.2 33
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 7.94 5.4119 11.5 16
Amine oxidase [flavin-containing] B
CHEMBL2039
 Ki 7.69 6.76 20.3 4
Amine oxidase [flavin-containing] B
CHEMBL2993
 IC50 6.66 5.76 220.0 4
Amine oxidase [flavin-containing] B
CHEMBL2039
 Kd 6.56 6.56 275.4 1
Unchecked
CHEMBL612545
 IC50 5.92 5.92 1200.0 1
Unchecked
CHEMBL612545
 Ki 5.49 5.49 3250.0 1
Amine oxidase [flavin-containing] B
CHEMBL2993
 Ki 5.47 5.47 3360.0 1
Aldehyde dehydrogenase, mitochondrial
CHEMBL2812
 IC50 5.25 5.25 5600.0 1
Amine oxidase [flavin-containing] A
CHEMBL3358
 Ki 5.07 5.07 8500.0 1
Amine oxidase [flavin-containing] A
CHEMBL1951
 Ki 4.89 4.89 13000.0 1
Pyrroline-5-carboxylate reductase 1, mitochondrial
CHEMBL4296002
 IC50 3.7 3.7 198000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] B IC50 = 8.2 nM 8.09 Inhibition of MAO-B (unknown origin) 28728104
Amine oxidase [flavin-containing] A IC50 = 11.52 nM 7.94 Inhibition of MAO-A (unknown origin) 28728104
Amine oxidase [flavin-containing] B Ki = 20.3 nM 7.69 Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris in... 25600407
Amine oxidase [flavin-containing] B IC50 = 48.0 nM 7.32 Inhibition of human MAO-B using p-tyramine as substrate by fluorimetric analysis 35525212
Amine oxidase [flavin-containing] B Ki = 49.5 nM 7.3 Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incub... 25600407
Amine oxidase [flavin-containing] B IC50 = 75.2 nM 7.12 Inhibition of recombinant human MAO-B assessed as reduction in H2O2 production u... 30108857
Amine oxidase [flavin-containing] B IC50 = 80.0 nM 7.1 Inhibition of human MAO-B preincubated for 5 mins followed by addition of Kynura... 33360800
Amine oxidase [flavin-containing] B IC50 = 79.0 nM 7.1 Inhibition of human MAO-B using p-tyramine as substrate incubated for 30 mins by... 39149109
Amine oxidase [flavin-containing] B IC50 = 85.8 nM 7.07 Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... 31325784
Amine oxidase [flavin-containing] B IC50 = 91.0 nM 7.04 Inhibition of MAOB (unknown origin) using benzylamine as substrate preincubated ... 30568755
Amine oxidase [flavin-containing] B IC50 = 95.0 nM 7.02 Inhibitory Assay: The compounds of the present invention obtained in the Product... -
Amine oxidase [flavin-containing] B IC50 = 100.0 nM 7.0 Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI inse... 30686752
Amine oxidase [flavin-containing] B IC50 = 103.0 nM 6.99 Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... 27575476
Amine oxidase [flavin-containing] B IC50 = 107.3 nM 6.97 Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI inse... 32503694
Amine oxidase [flavin-containing] B IC50 = 120.0 nM 6.92 Inhibition of human recombinant MAOB using benzylamine as substrate preincubated... 29395970
Amine oxidase [flavin-containing] B IC50 = 120.0 nM 6.92 Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated... 33479629
Amine oxidase [flavin-containing] B IC50 = 130.0 nM 6.89 Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophoto... 26107513
Amine oxidase [flavin-containing] B IC50 = 130.0 nM 6.89 Inhibition of MAOB (unknown origin) using kynuramine as substrate after 1 hr by ... 24007511
Amine oxidase [flavin-containing] B IC50 = 150.0 nM 6.82 Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infect... 31151057
Amine oxidase [flavin-containing] B IC50 = 188.0 nM 6.73 Inhibition of human recombinant MAO-B using benzylamine as substrate preincubate... 24128814

Literature References

PubMed DOI Target Context # Activities
28728104 10.1016/j.ejmech.2017.07.008 Mus musculus 9
7392033 10.1021/jm00180a018 Rattus norvegicus 6
31362921 10.1016/j.bmcl.2019.07.047 SUM-159-PT 6
7392033 10.1021/jm00180a018 Aldehyde dehydrogenase 1A1 4
6541256 10.1021/jm00376a019 Aldehyde dehydrogenase 1A1 4
- 10.1039/C6MD00170J NON-PROTEIN TARGET 4
25600407 10.1016/j.bmc.2014.12.063 Amine oxidase [flavin-containing] B 4
30568755 10.1039/C8MD00399H Amine oxidase [flavin-containing] B 3
23454517 10.1016/j.ejmech.2013.01.039 Amine oxidase [flavin-containing] B 3
31325784 10.1016/j.ejmech.2019.07.031 Mus musculus 3
32503694 10.1016/j.bmc.2020.115550 Mus musculus 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
31362921 10.1016/j.bmcl.2019.07.047 Pyrroline-5-carboxylate reductase 1, mitochondrial 3
24128814 10.1016/j.bmc.2013.09.050 Amine oxidase [flavin-containing] B 3
29395970 10.1016/j.bmcl.2018.01.049 Amine oxidase [flavin-containing] B 3
28728104 10.1016/j.ejmech.2017.07.008 Amine oxidase [flavin-containing] B 3
3373495 10.1021/jm00401a031 Mus musculus 3

Data from ChEMBL 36 via Core Engine