Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P6SY
|
|||
| Former ID |
DNC008663
|
|||
| Drug Name |
MDL-28618
|
|||
| Synonyms |
MDL-28618; UNII-9O1J7OU9Q5; 9O1J7OU9Q5; CHEMBL497666; BDBM50272710; MDL-28618A, (+)-; 1H-Indene-2-methanamine, 2,3-dihydro-N-methyl-1-(4-(trifluoromethyl)phenoxy)-, (1R-cis)-; (1R,2S)-2,3-Dihydro-N-methyl-1-[4-(trifluoromethyl)phenoxy]-1H-indene-2-methanamine; N-methyl((1R,2S)-1-(4-(trifluoromethyl)phenoxy)-2,3-dihydro-1H-inden-2-yl)methanamine
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C18H18F3NO
|
|||
| Canonical SMILES |
CNCC1CC2=CC=CC=C2C1OC3=CC=C(C=C3)C(F)(F)F
|
|||
| InChI |
1S/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/m0/s1
|
|||
| InChIKey |
BDCMARKCSKLIKU-SUMWQHHRSA-N
|
|||
| CAS Number |
CAS 130182-74-0
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Norepinephrine transporter (NET) | Target Info | Inhibitor | [1] |
| Serotonin transporter (SERT) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Serotonergic synapse | |||
| NetPath Pathway | TCR Signaling Pathway | |||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| 5HT1 type receptor mediated signaling pathway | ||||
| 5HT2 type receptor mediated signaling pathway | ||||
| 5HT3 type receptor mediated signaling pathway | ||||
| 5HT4 type receptor mediated signaling pathway | ||||
| Reactome | Na+/Cl- dependent neurotransmitter transporters | |||
| WikiPathways | Monoamine Transport | |||
| NRF2 pathway | ||||
| Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds | ||||
| SIDS Susceptibility Pathways | ||||
| Synaptic Vesicle Pathway | ||||
| Serotonin Transporter Activity | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with a heterocyclic ring constraint. Bioorg Med Chem Lett. 2008 Aug 15;18(16):4495-8. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.