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Compound Detail

CHEMBL493682

DENOPAMINE
🧪 Phase II
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🧪 Phase II
COc1ccc(CCNC[C@H](O)c2ccc(O)cc2)cc1OC

Basic Information

ChEMBL ID CHEMBL493682
Name DENOPAMINE
Phase Phase II
Structure Type MOL
InChI Key VHSBBVZJABQOSG-INIZCTEOSA-N

Known Names

Denopamina Denopamine Kalgut TA 064 TA-064
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

317.4
MW (Da)
2.28
ALogP
5
HBA
3
HBD
71.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -pamine

Extended Properties

Molecular Formula C18H23NO4
MW 317.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.08

Activity Summary

EC50 1 meas. best 4.41
IC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 4.41 4.41 39200.0 1
Solute carrier family 22 member 1
CHEMBL5685
IC50 4.33 4.33 46900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 3
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 3
37468498 10.1038/s41467-023-40064-9 Androgen receptor 3
17417631 10.1038/nchembio873 NON-PROTEIN TARGET 2
37468498 10.1038/s41467-023-40064-9 Histamine H3 receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A1 2
18788725 10.1021/jm8003152 Solute carrier family 22 member 1 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 2
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A3 1
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 1
37468498 10.1038/s41467-023-40064-9 Equilibrative nucleoside transporter 1 1
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine