Compound Detail
CHEMBL404216
TOFISOPAM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL404216 |
| Name | TOFISOPAM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RUJBDQSFYCKFAA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications
Molecular Properties
382.5
MW (Da)
4.44
ALogP
6
HBA
0
HBD
61.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Anxiety
ATC Classification
N05BA23
tofisopam
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
IC50 4 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.17 | 5.8167 | 680.0 | 3 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 680.0 | nM | 6.17 | Inhibition of bovine aortic PDE4 using cAMP as substrate in presence of cGMP | 21920746 |
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | Inhibition of bovine aortic endothelial cells PDE2 using cAMP as substrate in pr... | 21920746 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human PDE4D catalytic domain using [3H]-cAMP or [3H]-cGMP incubate... | - |
| Unchecked | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of bovine aortic PDE3 using cAMP as substrate in presence of rolipram | 21920746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21920746 | 10.1016/j.bmcl.2011.08.036 | Unchecked | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Vascular endothelial growth factor receptor 2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prothrombin | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine