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Compound Detail

CHEMBL58343

AGMATINE
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Basic Information

ChEMBL ID CHEMBL58343
Name AGMATINE
Phase Preclinical
Structure Type MOL
InChI Key QYPPJABKJHAVHS-UHFFFAOYSA-N
5
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

130.2
MW (Da)
-1.00
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.26
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H14N4
MW 130.19
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 1.46

Activity Summary

IC50 7 meas. best 4.44
Ki 7 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyamine oxidase 1
CHEMBL6108
 Ki 5.52 5.52 3000.0 1
Adrenergic receptor alpha-2
CHEMBL2093864
 Ki 4.5 4.5 31700.0 2
Nischarin
CHEMBL5221
 IC50 4.44 4.44 36532.0 2
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 4.0 4.0 100000.0 2
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 4.0 4.0 100000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyamine oxidase 1 Ki = 3000.0 nM 5.52 Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method 19591488
Adrenergic receptor alpha-2 Ki = 31700.0 nM 4.5 Displacement of [3H]RX821002 from alpha2 adrenoceptor in Wistar rat kidney by li... 19101144
Adrenergic receptor alpha-2 Ki = 31700.0 nM 4.5 Inhibition of Wistar rat alpha-2 adrenergic receptor 21159515
Nischarin IC50 = 36532.0 nM 4.44 Displacement of [3H]clonidine from imidazoline I1 receptor in Wistar rat kidney ... 19101144
Nischarin IC50 = 36532.0 nM 4.44 Inhibition of Wistar rat imidazoline I1 receptor 21159515
Amine oxidase [flavin-containing] B IC50 = 100000.0 nM 4.0 Activity Assay: Inhibitory activity of compounds was evaluated by a homogeneous ... -
Amine oxidase [flavin-containing] A IC50 = 100000.0 nM 4.0 Activity Assay: Inhibitory activity of compounds was evaluated by a homogeneous ... -
Amine oxidase [flavin-containing] A IC50 = 100000.0 nM 4.0 Activity Assay: Inhibitory activity of compounds was evaluated by a homogeneous ... -
Amine oxidase [flavin-containing] B IC50 = 100000.0 nM 4.0 Activity Assay: Inhibitory activity of compounds was evaluated by a homogeneous ... -

Literature References

PubMed DOI Target Context # Activities
10576697 10.1016/s0960-894x(99)00569-7 Rattus norvegicus 6
38352828 10.1021/acsmedchemlett.3c00460 Acinetobacter baumannii 6
38352828 10.1021/acsmedchemlett.3c00460 Klebsiella pneumoniae 6
38352828 10.1021/acsmedchemlett.3c00460 Pseudomonas aeruginosa 6
38352828 10.1021/acsmedchemlett.3c00460 Staphylococcus aureus 4
12538837 10.1124/jpet.102.044404 Solute carrier family 22 member 1 4
38352828 10.1021/acsmedchemlett.3c00460 Escherichia coli 3
38352828 10.1021/acsmedchemlett.3c00460 Enterococcus faecalis 2
12538837 10.1124/jpet.102.044404 Solute carrier family 22 member 2 2
12538837 10.1124/jpet.102.044404 Solute carrier family 22 member 3 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
7636868 10.1021/jm00016a008 Deoxyhypusine synthase 1
19101144 10.1016/j.bmcl.2008.11.055 Nischarin 1
12723959 10.1021/jm021050c Rattus norvegicus 1
18788725 10.1021/jm8003152 Solute carrier family 22 member 1 1
21159515 10.1016/j.bmc.2010.11.039 Adrenergic receptor alpha-2 1
21159515 10.1016/j.bmc.2010.11.039 Unchecked 1
21159515 10.1016/j.bmc.2010.11.039 Nischarin 1
19591488 10.1021/jm900371z Polyamine oxidase 1 1
19101144 10.1016/j.bmcl.2008.11.055 Adrenergic receptor alpha-2 1

Data from ChEMBL 36 via Core Engine