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Compound Detail

CHEMBL338667

DIPERODON
🧪 Phase II
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🧪 Phase II
O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338667
Name DIPERODON
Phase Phase II
Structure Type MOL
InChI Key YUGZHQHSNYIFLG-UHFFFAOYSA-N

Known Names

Diperodon Diperodon anhydrous
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

397.5
MW (Da)
4.34
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product

Extended Properties

Molecular Formula C22H27N3O4
MW 397.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunits; brain (Types I, II, III)
CHEMBL2096682
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel alpha subunits; brain (Types I, II, III) IC50 = 1300.0 nM 5.89 Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... 2579237

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 89
31158845 10.1038/s41586-019-1291-3 ADMET 65
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 6
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 5
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 4
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 4
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 4
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 3
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 2

Data from ChEMBL 36 via Core Engine