| Collection |
D4 : TTD |
| Chemical Name |
1,2,3,4,4a,5-hexahydrophenanthridin-6(10bH)-one ( From PubChem : C H E M B L 8 4 0 4 4 ) |
| 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 |
| 201.264 g/mol |
1 |
2 |
2.785 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 3 H 1 5 N O / c 1 5 - 1 3 - 1 1 - 7 - 2 - 1 - 5 - 9 ( 1 1 ) 1 0 - 6 - 3 - 4 - 8 - 1 2 ( 1 0 ) 1 4 - 1 3 / h 1 - 2 , 5 , 7 , 1 0 , 1 2 H , 3 - 4 , 6 , 8 H 2 , ( H , 1 4 , 1 5 ) / t 1 0 - , 1 2 - / m 1 / s 1 |
| InChIKey |
C Q Q B P J Q E I H Y W Q X - Z Y H U D N B S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PARP1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
