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Compound Detail

CHEMBL279390

LAZABEMIDE
🧪 Phase II
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🧪 Phase II
NCCNC(=O)c1ccc(Cl)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279390
Name LAZABEMIDE
Phase Phase II
Structure Type MOL
InChI Key JZXRLKWWVNUZRB-UHFFFAOYSA-N

Known Names

Lazabemida Lazabemide RO 19-6327/000 RO-19-6327/000 RO-196327
3
Targets
32
Activities
4
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

199.6
MW (Da)
0.42
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1992

Extended Properties

Molecular Formula C8H10ClN3O
MW 199.64
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.72

Activity Summary

IC50 24 meas. best 7.82
Ki 6 meas. best 8.41
EC50 1 meas. best 5.15
Kd 1 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2039
 Ki 8.41 7.83 3.9 5
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 7.82 7.1814 15.0 21
Amine oxidase [flavin-containing] B
CHEMBL2993
 IC50 7.66 7.59 22.0 2
Unchecked
CHEMBL612545
 IC50 7.52 7.52 30.0 1
Amine oxidase [flavin-containing] B
CHEMBL2039
 Kd 7.18 7.18 66.0 1
Amine oxidase [flavin-containing] B
CHEMBL2039
 EC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] B Ki = 3.9 nM 8.41 Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incub... 25600407
Amine oxidase [flavin-containing] B Ki = 5.0 nM 8.3 Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... 33533632
Amine oxidase [flavin-containing] B Ki = 6.0 nM 8.22 Inhibition of recombinant human MAO-B assessed as reduction in H2O2 production p... 30109004
Amine oxidase [flavin-containing] B IC50 = 15.0 nM 7.82 Inhibition of human recombinant MAOB using benzylamine as substrate preincubated... 29395970
Amine oxidase [flavin-containing] B IC50 = 20.0 nM 7.7 Inhibition of MAO-B (unknown origin) 34905377
Amine oxidase [flavin-containing] B IC50 = 22.0 nM 7.66 In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain ho... -
Amine oxidase [flavin-containing] B IC50 = 30.0 nM 7.52 In vitro inhibitory activity against rat brain Monoamine oxidase B 7490728
Unchecked IC50 = 30.0 nM 7.52 Inhibition of mitochondrial Monoamine oxidase-B purified from bovine liver 8254625
Amine oxidase [flavin-containing] B IC50 = 30.0 nM 7.52 Inhibition of human MAO-B 29335210
Amine oxidase [flavin-containing] B IC50 = 33.0 nM 7.48 Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI inse... 30686752
Amine oxidase [flavin-containing] B IC50 = 37.0 nM 7.43 Inhibition of recombinant human MAO-B using benzylamine as substrate incubated f... 29925480
Amine oxidase [flavin-containing] B IC50 = 42.0 nM 7.38 Inhibition of MAOB (unknown origin) using benzylamine as substrate preincubated ... 30568755
Amine oxidase [flavin-containing] B Kd = 66.0 nM 7.18 Binding affinity to human recombinant microsomal MAO-B by ITC 25600407
Amine oxidase [flavin-containing] B Ki = 72.2 nM 7.14 Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris in... 25600407
Amine oxidase [flavin-containing] B Ki = 84.0 nM 7.08 Inhibition constant against human recombinant Monoamine oxidase-B 16137882
Amine oxidase [flavin-containing] B IC50 = 91.0 nM 7.04 Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydr... 25701250
Amine oxidase [flavin-containing] B IC50 = 91.0 nM 7.04 Inhibition of human recombinant MAOB using kynuramine substrate assessed as redu... 25857942
Amine oxidase [flavin-containing] B IC50 = 91.0 nM 7.04 Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome ... 26432037
Amine oxidase [flavin-containing] B IC50 = 91.0 nM 7.04 Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as su... 26821818
Amine oxidase [flavin-containing] B IC50 = 91.0 nM 7.04 Inhibition of human recombinant MAO-B using kynuramine as substrate incubated fo... 27020523

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
25600407 10.1016/j.bmc.2014.12.063 Amine oxidase [flavin-containing] B 7
29395970 10.1016/j.bmcl.2018.01.049 Amine oxidase [flavin-containing] B 3
30109004 10.1039/C8MD00196K Amine oxidase [flavin-containing] A 3
30568755 10.1039/C8MD00399H Amine oxidase [flavin-containing] B 3
33533632 10.1021/acs.jmedchem.0c01504 Amine oxidase [flavin-containing] B 3
33533632 10.1021/acs.jmedchem.0c01504 Amine oxidase [flavin-containing] A 3
33533632 10.1021/acs.jmedchem.0c01504 HepG2 3
30686752 10.1016/j.bmcl.2019.01.016 Amine oxidase [flavin-containing] A 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
23122934 10.1016/j.bmc.2012.10.005 Amine oxidase [flavin-containing] B 1
24012182 10.1016/j.bmcl.2013.08.071 Amine oxidase [flavin-containing] B 1
8254625 10.1021/jm00076a026 Unchecked 1
24794105 10.1016/j.bmcl.2014.04.021 Amine oxidase [flavin-containing] A 1
24794105 10.1016/j.bmcl.2014.04.021 Amine oxidase [flavin-containing] B 1
7490728 10.1021/jm00024a006 Monoamine oxidase 1
25701250 10.1016/j.bmcl.2015.01.061 Amine oxidase [flavin-containing] B 1
29335210 10.1016/j.ejmech.2018.01.003 Amine oxidase [flavin-containing] B 1
7490728 10.1021/jm00024a006 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine