Compound Detail
CHEMBL1672355
(S)-MODAFINIL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1672355 |
| Name | (S)-MODAFINIL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFGHCGITMMYXAQ-IBGZPJMESA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
2.01
ALogP
2
HBA
1
HBD
66.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.71 | 5.71 | 1960.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.23 | 5.23 | 5910.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.12 | 5.12 | 7640.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 1960.0 | nM | 5.71 | Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell me... | 27933960 |
| Unchecked | Ki | = | 5910.0 | nM | 5.23 | Displacement of [3H]WIN35,428 from human DAT Y156F mutant expressed in COS7 cell... | 27933960 |
| Sodium-dependent dopamine transporter | Ki | = | 7640.0 | nM | 5.12 | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes | 21344069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Unchecked | 2 |
| 21344069 | 10.1021/ml1002025 | Sodium-dependent dopamine transporter | 1 |
| 21344069 | 10.1021/ml1002025 | Sodium-dependent serotonin transporter | 1 |
| 21344069 | 10.1021/ml1002025 | Transporter | 1 |
| 21344069 | 10.1021/ml1002025 | Mus musculus | 1 |
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Sodium-dependent dopamine transporter | 1 |
| 31307886 | 10.1016/j.bmcl.2019.06.043 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine