Compound Detail

CHEMBL8706

CLORGILINE

🧪 Phase II

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Research home View demo workspace

🧪 Phase II

C#CCN(C)CCCOc1ccc(Cl)cc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL8706
Name	CLORGILINE
Phase	Phase II
Structure Type	MOL
InChI Key	BTFHLQRNAMSNLC-UHFFFAOYSA-N

Known Names

Clorgilina Clorgiline M&B 9302 M&B-9302

Targets

247

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

272.2

MW (Da)

3.33

ALogP

HBA

HBD

12.5

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem

-giline

Extended Properties

Molecular Formula	C13H15Cl2NO
MW	272.18
Aromatic Rings	1
Heavy Atoms	17
NP-Likeness	-1.62

Activity Summary

IC50 229 meas. best 9.38

Ki 18 meas. best 9.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Amine oxidase [flavin-containing] A CHEMBL1951	Ki	9.52	7.875	0.3	4
Amine oxidase [flavin-containing] A CHEMBL3358	IC50	9.38	7.5289	0.4	9
Amine oxidase [flavin-containing] B CHEMBL2993	IC50	9.3	6.182	0.5	5
Amine oxidase [flavin-containing] A CHEMBL1951	IC50	9.3	8.0809	0.5	106
Monoamine oxidase CHEMBL2095196	IC50	9.15	7.66	0.7	2
Amine oxidase [flavin-containing] A CHEMBL3681	IC50	9.0	9.0	1.0	1
Amine oxidase [flavin-containing] B CHEMBL2039	IC50	8.66	4.8235	2.2	72
Amine oxidase [flavin-containing] A CHEMBL3254	IC50	8.54	8.5	2.9	4
Sigma non-opioid intracellular receptor 1 CHEMBL3465	Ki	8.54	8.54	2.9	1
Amine oxidase [flavin-containing] A CHEMBL3254	Ki	7.27	7.27	54.0	4
Sigma intracellular receptor 2 CHEMBL4802011	Ki	6.3	6.3	505.0	1
Amine oxidase [flavin-containing] A CHEMBL3358	Ki	5.92	5.92	1200.0	1
Cytochrome P450 2B1 CHEMBL3335	Ki	5.82	5.82	1500.0	1
Unchecked CHEMBL612545	Ki	5.7	5.7	1990.0	1
Amine oxidase [flavin-containing] B CHEMBL2993	Ki	5.25	5.25	5600.0	1
Amine oxidase [flavin-containing] B CHEMBL2756	Ki	4.24	4.24	58000.0	4
Amine oxidase [flavin-containing] B CHEMBL2756	IC50	4.01	4.01	98000.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Amine oxidase [flavin-containing] A	Ki	=	0.3	nM	9.52	Inhibition of recombinant human MAOA using kynuramine as substrate assessed as d...	-
Amine oxidase [flavin-containing] A	IC50	=	0.42	nM	9.38	Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as s...	22475561
Amine oxidase [flavin-containing] B	IC50	=	0.5	nM	9.3	Inhibition of MAO-B in rat whole brain homogenate in presence of clorgyline	25600407
Amine oxidase [flavin-containing] A	IC50	=	0.5	nM	9.3	Inhibitory Assay: The compounds of the present invention obtained in the Product...	-
Amine oxidase [flavin-containing] A	IC50	=	0.61	nM	9.21	Inhibition of human full length recombinant MAO-A expressed in insect cells usin...	34908406
Monoamine oxidase	IC50	=	0.7	nM	9.15	In vitro Inhibitory activity of Monoamine oxidase at rat hyphalamic mitochondria...	6864731
Amine oxidase [flavin-containing] A	IC50	=	1.0	nM	9.0	Inhibition of MAO-A (unknown origin) expressed in mouse GL26 cells using 14C 5-h...	35005974
Amine oxidase [flavin-containing] A	IC50	=	1.0	nM	9.0	Inhibition of recombinant human MAOA using kynuramine as substrate assessed as d...	-
Amine oxidase [flavin-containing] A	IC50	=	1.0	nM	9.0	Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolon...	27744252
Amine oxidase [flavin-containing] A	IC50	=	1.0	nM	9.0	Inhibition of MAO A in mouse GL26 cells preincubated for 20 mins followed by 14C...	37172473
Amine oxidase [flavin-containing] A	IC50	=	1.06	nM	8.97	Inhibition of human recombinant MAOA using kynuramine as substrate preincubated ...	30108930
Amine oxidase [flavin-containing] A	IC50	=	1.1	nM	8.96	Inhibition of MAO-A (unknown origin)	33775841
Amine oxidase [flavin-containing] A	IC50	=	1.2	nM	8.92	In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A)	8487255
Amine oxidase [flavin-containing] A	IC50	=	1.2	nM	8.92	Inhibition of MAO-A (unknown origin)	33111525
Amine oxidase [flavin-containing] A	IC50	=	1.6	nM	8.8	Inhibition of recombinant human MAO-A expressed in Sf9 cells using p-tyramine as...	33210537
Amine oxidase [flavin-containing] A	IC50	=	1.9	nM	8.72	Inhibition of MAO-A (unknown origin) assessed as luminescent signal by MAO-Glo-a...	39036880
Amine oxidase [flavin-containing] A	IC50	=	1.9	nM	8.72	Inhibition of N-terminal FLAG-tagged human recombinant MAO-A expressed in Sf9 ce...	37086699
Amine oxidase [flavin-containing] A	IC50	=	2.0	nM	8.7	Inhibition of recombinant human MAO-A expressed in baculovirus infected insect c...	38490063
Amine oxidase [flavin-containing] A	IC50	=	2.0	nM	8.7	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5...	30016860
Amine oxidase [flavin-containing] A	IC50	=	2.0	nM	8.7	Inhibition of human recombinant MAO-A assessed as reduction in 4-hydroxyquinolin...	37178666

Literature References

PubMed	DOI	Target Context	# Activities
33479699	10.1039/d0md00150c	Amine oxidase [flavin-containing] A	12
35005974	10.1021/acs.jmedchem.1c01726	ADMET	10
6864731	10.1021/jm00361a017	Monoamine oxidase	8
31917923	10.1021/acs.jmedchem.9b01886	Amine oxidase [flavin-containing] A	6
37172473	10.1016/j.ejmech.2023.115459	Unchecked	5
30686752	10.1016/j.bmcl.2019.01.016	Amine oxidase [flavin-containing] A	4
29395970	10.1016/j.bmcl.2018.01.049	Amine oxidase [flavin-containing] A	3
29925480	10.1016/j.bmcl.2018.06.023	Amine oxidase [flavin-containing] A	3
-	10.1039/C6MD00228E	Amine oxidase [flavin-containing] A	3
30568755	10.1039/C8MD00399H	Amine oxidase [flavin-containing] A	3
35005974	10.1021/acs.jmedchem.1c01726	Unchecked	3
22222137	10.1016/j.ejmech.2011.12.027	Amine oxidase [flavin-containing] B	2
25922182	10.1016/j.bmc.2015.04.021	Mus musculus	2
26352677	10.1016/j.ejmech.2015.08.055	Unchecked	2
26471320	10.1016/j.ejmech.2015.10.001	Amine oxidase [flavin-containing] A	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
30108930	10.1039/C7MD00569E	Amine oxidase [flavin-containing] A	2
22222137	10.1016/j.ejmech.2011.12.027	Amine oxidase [flavin-containing] A	2
-	10.1039/C6MD00228E	Amine oxidase [flavin-containing] B	2
19091581	10.1016/j.bmc.2008.11.068	Amine oxidase [flavin-containing] B	2

Data from ChEMBL 36 via Core Engine