| Collection |
D4 : TTD |
| Chemical Name |
A-795614 ( From PubChem : C H E M B L 5 2 0 9 9 5 ) |
| 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 |
| 375.467 g/mol |
3 |
5 |
4.8911 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 5 N 5 O / c 2 8 - 2 2 ( 2 4 - 1 9 - 5 - 4 - 6 - 2 1 - 1 8 ( 1 9 ) 1 4 - 2 3 - 2 6 - 2 1 ) 2 5 - 2 0 - 1 0 - 7 - 1 5 - 1 3 - 1 6 ( 8 - 9 - 1 7 ( 1 5 ) 2 0 ) 2 7 - 1 1 - 2 - 1 - 3 - 1 2 - 2 7 / h 4 - 6 , 8 - 9 , 1 3 - 1 4 , 2 0 H , 1 - 3 , 7 , 1 0 - 1 2 H 2 , ( H , 2 3 , 2 6 ) ( H 2 , 2 4 , 2 5 , 2 8 ) / t 2 0 - / m 1 / s 1 |
| InChIKey |
S V Y G R C S O I P Q X G O - 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 | TRPV1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
