| Collection |
D4 : TTD |
| Chemical Name |
1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid ( From PubChem : C H E M B L 1 8 4 3 4 9 ) |
| 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 |
| 367.463 g/mol |
2 |
4 |
4.6696 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 3 4 N O 3 P / c 1 - 2 - 3 - 4 - 5 - 6 - 7 - 8 - 9 - 1 8 - 1 0 - 1 2 - 1 9 ( 1 3 - 1 1 - 1 8 ) 1 6 - 2 1 - 1 5 - 1 4 - 2 0 ( 1 7 - 2 1 ) 2 5 ( 2 2 , 2 3 ) 2 4 / h 1 0 - 1 3 , 2 0 H , 2 - 9 , 1 4 - 1 7 H 2 , 1 H 3 , ( H 2 , 2 2 , 2 3 , 2 4 ) / t 2 0 - / m 1 / s 1 |
| InChIKey |
P R U U C T G B H I G G O H - H X U W F J F H S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | S1PR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
