Synonyms: | |
Status: | Approved (1991) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N06AB06 |
UNII: | QUC7NX6WMB |
InChI Key | VGKDLMBJGBXTGI-SJCJKPOMSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H17Cl2N |
Molecular Weight | 306.24 |
AlogP | 5.18 |
Hydrogen Bond Acceptor | 1.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 12.03 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 20.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 1
Cytochrome P450 family 1A
Cytochrome P450 1A2
|
- | 29700 | - | - | - | |
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C19
|
- | 310-22500 | - | - | - | |
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 1400-2880 | - | - | - | |
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 800-13600 | - | - | - | |
Enzyme
|
- | 1400-2880 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated calcium channel
|
- | 2310-2600 | - | - | - | |
Membrane receptor
|
- | - | - | 57 | - | |
Transcription factor
|
- | 27000 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 0-3 | 0 | 1-3 | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 29340 | - | - | - | |
Unclassified protein
|
- | - | - | 5297 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Depressive Disorder | 4 | D003866 | ClinicalTrials |
Depressive Disorder | 4 | D003866 | ClinicalTrials |
Anxiety Disorders | 3 | D001008 | ClinicalTrials |
Bipolar Disorder | 3 | D001714 | ClinicalTrials |
Schizophrenia | 3 | D012559 | ClinicalTrials |
Stress Disorders, Post-Traumatic | 3 | D013313 | ClinicalTrials |
Autistic Disorder | 3 | D001321 | ClinicalTrials |
Obsessive-Compulsive Disorder | 3 | D009771 | ClinicalTrials |
Sleep Initiation and Maintenance Disorders | 3 | D007319 | ClinicalTrials |
Anxiety | 3 | D001007 | ClinicalTrials |
Meningitis, Cryptococcal | 3 | D016919 | ClinicalTrials |
Phobia, Social | 3 | D000072861 | ClinicalTrials |
Dementia | 3 | D003704 | ClinicalTrials |
Depressive Disorder, Major | 3 | D003865 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Brain Injuries | 2 | D001930 | ClinicalTrials |
Mood Disorders | 2 | D019964 | ClinicalTrials |
Panic Disorder | 2 | D016584 | ClinicalTrials |
Fragile X Syndrome | 2 | D005600 | ClinicalTrials |
Pruritus | 2 | D011537 | ClinicalTrials |
Coccidioidomycosis | 2 | D003047 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Depression, Postpartum | 2 | D019052 | ClinicalTrials |
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Child Development Disorders, Pervasive | 2 | D002659 | ClinicalTrials |
Substance-Related Disorders | 2 | D019966 | ClinicalTrials |
Glioblastoma | 1 | D005909 | ClinicalTrials |
Hepatitis C | 1 | D006526 | ClinicalTrials |
Obesity | 1 | D009765 | ClinicalTrials |
Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 79617-96-2 |
ChEBI | 9123 |
ChEMBL | CHEMBL809 |
DrugBank | DB01104 |
DrugCentral | 2436 |
EPA CompTox | DTXSID6023577 |
FDA SRS | QUC7NX6WMB |
Human Metabolome Database | HMDB0005010 |
Guide to Pharmacology | 4798 |
KEGG | C07246 |
PDB | SRE |
PharmGKB | PA451333 |
PubChem | 68617 |
SureChEMBL | SCHEMBL28701 |
ZINC | ZINC000001853550 |