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Compound Detail

CHEMBL1255743

TRANYLCYPROMINE HYDROCHLORIDE
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Cl.N[C@@H]1C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1255743
Name TRANYLCYPROMINE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key ZPEFMSTTZXJOTM-OULXEKPRSA-N
Parent Compound CHEMBL1179
Active Moiety CHEMBL1179
7
Targets
19
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
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

First in Class Prodrug

Extended Properties

Molecular Formula C9H12ClN
MW 169.65
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.42

Activity Summary

IC50 16 meas. best 7.46
EC50 1 meas. best 6.21
Kd 1 meas. best 4.33
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 7.46 6.0967 35.0 3
Trace amine-associated receptor 1
CHEMBL5857
 EC50 6.21 6.21 611.0 1
Trace amine-associated receptor 1
CHEMBL5857
 IC50 5.68 5.68 2097.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 5.68 5.12 2100.0 2
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 5.35 5.0067 4500.0 3
Plasmodium falciparum
CHEMBL364
 IC50 5.0 4.92 10000.0 5
Lysine-specific histone demethylase 2
CHEMBL1938208
 IC50 4.46 4.46 34900.0 1
Unchecked
CHEMBL612545
 IC50 4.46 4.46 35000.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
 Kd 4.33 4.33 46300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] B IC50 = 35.0 nM 7.46 Compound was evaluated for inhibition of Microbial tyramine oxidase; competitive 15027872
Trace amine-associated receptor 1 EC50 = 610.95 nM 6.21 PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... -
Trace amine-associated receptor 1 IC50 = 2097.0 nM 5.68 PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... -
Lysine-specific histone demethylase 1A IC50 = 2100.0 nM 5.68 Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydroge... 24325601
Amine oxidase [flavin-containing] B IC50 = 2500.0 nM 5.6 Inhibition of human recombinant MAO-B expressed in Pichia pastoris using benzyla... 24325601
Amine oxidase [flavin-containing] A IC50 = 4500.0 nM 5.35 Inhibition of human recombinant MAO-A expressed in Pichia pastoris using kynuram... 24325601
Amine oxidase [flavin-containing] B IC50 = 5900.0 nM 5.23 Inhibition of MAO-B (unknown origin) by fluorescence assay 24131029
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Amine oxidase [flavin-containing] A IC50 = 10600.0 nM 4.97 Inhibition of MAO-A (unknown origin) by fluorescence assay 24131029
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Amine oxidase [flavin-containing] A IC50 = 20000.0 nM 4.7 Inhibitory concentration for human liver monoamine oxidase A 15537343
Lysine-specific histone demethylase 1A IC50 = 27800.0 nM 4.56 Inhibition of human recombinant LSD1 (157 to 852 aa) expressed in Escherichia co... 24131029
Unchecked IC50 = 35000.0 nM 4.46 Inhibitory concentration against tyramine oxidase of Arthrobacter spp.; Competit... 15537343
Lysine-specific histone demethylase 2 IC50 = 34900.0 nM 4.46 Inhibition of recombinant LSD2 (22 to 822 aa) (unknown origin) expressed in Esch... 24131029
Lysine-specific histone demethylase 1A Kd = 46300.0 nM 4.33 Binding affinity to human recombinant LSD1 (157 to 852 aa) expressed in Escheric... 24131029

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 5
33691794 10.1186/s13148-021-01037-1 A549 4
24325601 10.1021/jm4012802 HeLa 4
24131029 10.1021/jm401002r Lysine-specific histone demethylase 1A 4
22876979 10.1021/jm3002845 Lysine-specific histone demethylase 1A 2
24131029 10.1021/jm401002r MGC-803 2
24131029 10.1021/jm401002r Lysine-specific histone demethylase 2 1
24325601 10.1021/jm4012802 Lysine-specific demethylase 6B 1
24325601 10.1021/jm4012802 LNCaP 1
24325601 10.1021/jm4012802 HCT-116 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
24131029 10.1021/jm401002r Amine oxidase [flavin-containing] A 1
24131029 10.1021/jm401002r Amine oxidase [flavin-containing] B 1
15027872 10.1021/jm030398k Amine oxidase [flavin-containing] B 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
17417631 10.1038/nchembio873 Unchecked 1
15537343 10.1021/jm049957t Amine oxidase [flavin-containing] A 1
15537343 10.1021/jm049957t Unchecked 1

Data from ChEMBL 36 via Core Engine