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Compound Detail

CHEMBL257990

(+)-TRANYLCYPROMINE
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N[C@H]1C[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL257990
Name (+)-TRANYLCYPROMINE
Phase Preclinical
Structure Type MOL
InChI Key AELCINSCMGFISI-BDAKNGLRSA-N

Known Names

Trans-2-Phenylcyclopropanamine
3
Targets
18
Activities
2
Assay Types
0
PK Parameters
19
Publications
1
Known Names

Molecular Properties

133.2
MW (Da)
1.50
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H11N
MW 133.19
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.42

Activity Summary

IC50 12 meas. best 6.57
Ki 6 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 6.57 5.7267 269.1 3
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 6.29 5.83 506.7 2
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 5.44 4.8967 3600.0 6
Amine oxidase [flavin-containing] B
CHEMBL2039
 Ki 5.36 5.36 4400.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
 Ki 4.58 4.58 26600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] A IC50 = 269.1 nM 6.57 Inhibition of MAO-A (unknown origin) 35101649
Amine oxidase [flavin-containing] B IC50 = 506.7 nM 6.29 Inhibition of MAO-B (unknown origin) 35101649
Amine oxidase [flavin-containing] A IC50 = 3400.0 nM 5.47 Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic ... 29247860
Lysine-specific histone demethylase 1A IC50 = 3600.0 nM 5.44 Inhibition of N-terminal truncated recombinant human LSD1 (151 to 852 residues) ... 30153955
Amine oxidase [flavin-containing] B IC50 = 4300.0 nM 5.37 Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI inse... 35200034
Amine oxidase [flavin-containing] B Ki = 4400.0 nM 5.36 Inhibition of human recombinant MAO-B expressed in Pichia pastoris assessed as i... 36537915
Lysine-specific histone demethylase 1A IC50 = 6300.0 nM 5.2 Inhibition of LSD1 (unknown origin) 29247860
Lysine-specific histone demethylase 1A IC50 = 6500.0 nM 5.19 Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in ... 29247860
Amine oxidase [flavin-containing] A IC50 = 7300.0 nM 5.14 Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI inse... 35200034
Lysine-specific histone demethylase 1A IC50 = 22000.0 nM 4.66 Inhibition of KDM1A (unknown origin) 35101649
Lysine-specific histone demethylase 1A Ki = 26600.0 nM 4.58 Inhibition of human recombinant His-tagged full length LSD1 expressed in Escheri... 21382717
Lysine-specific histone demethylase 1A IC50 = 32000.0 nM 4.5 Inhibition of N-terminal His-tagged human LSD1 expressed in Escherichia coli usi... 35200034
Lysine-specific histone demethylase 1A IC50 = 40250.0 nM 4.39 Inhibition of human recombinant LSD1 using fluorogenic ADHP based substrate prei... 32229389

Literature References

PubMed DOI Target Context # Activities
21382717 10.1016/j.bmc.2011.02.017 Lysine-specific histone demethylase 1A 2
19345586 10.1016/j.bmc.2009.03.025 Glutamate NMDA receptor 2
29247860 10.1016/j.ejmech.2017.12.001 Lysine-specific histone demethylase 1A 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
36537915 10.1021/acs.jmedchem.2c01324 Amine oxidase [flavin-containing] B 1
36537915 10.1021/acs.jmedchem.2c01324 Lysine-specific histone demethylase 1B 1
36537915 10.1021/acs.jmedchem.2c01324 LSD1/CoREST complex 1
35200034 10.1021/acs.jmedchem.1c02156 Lysine-specific histone demethylase 1A 1
35200034 10.1021/acs.jmedchem.1c02156 Amine oxidase [flavin-containing] B 1
35200034 10.1021/acs.jmedchem.1c02156 Amine oxidase [flavin-containing] A 1
35101649 10.1016/j.ejmech.2022.114143 Amine oxidase [flavin-containing] B 1
35101649 10.1016/j.ejmech.2022.114143 Amine oxidase [flavin-containing] A 1
35101649 10.1016/j.ejmech.2022.114143 Lysine-specific histone demethylase 1A 1
32229389 10.1016/j.ejmech.2020.112243 Lysine-specific histone demethylase 1A 1
29247860 10.1016/j.ejmech.2017.12.001 Amine oxidase [flavin-containing] A 1
30153955 10.1016/j.bmc.2018.08.026 Lysine-specific histone demethylase 1A 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1
21382717 10.1016/j.bmc.2011.02.017 LNCaP 1

Data from ChEMBL 36 via Core Engine