| Collection |
D4 : TTD |
| Chemical Name |
RPR-113829 ( From PubChem : C H E M B L 4 8 8 6 6 ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 407.55 g/mol |
5 |
8 |
3.6091 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 5 N 3 O 3 S 2 / c 1 - 2 7 - 8 - 7 - 1 7 ( 1 9 ( 2 4 ) 2 5 ) 2 2 - 1 8 ( 2 3 ) 1 6 - 4 - 2 - 3 - 1 2 - 9 - 1 4 ( 5 - 6 - 1 5 ( 1 2 ) 1 6 ) 2 1 - 1 0 - 1 3 ( 2 0 ) 1 1 - 2 6 / h 2 - 6 , 9 , 1 3 , 1 7 , 2 1 , 2 6 H , 7 - 8 , 1 0 - 1 1 , 2 0 H 2 , 1 H 3 , ( H , 2 2 , 2 3 ) ( H , 2 4 , 2 5 ) / t 1 3 - , 1 7 + / m 1 / s 1 |
| InChIKey |
Y U X O G M I O P N Y I Q R - D Y V F J Y S Z S A - N
|
| Links |
|
Gene
(3 /
4)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CH17-360D5.1 | | | Discontinued target | | TTD | Inhibitor | FNTA | | | Discontinued target | | TTD | Inhibitor | FNTB | | | Research target | | TTD | Inhibitor | FNTB | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
