| Collection |
D4 : TTD |
| Chemical Name |
BMS 275291 ( From PubChem : A C 1 L 3 W N B ) |
| 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 |
| 499.667 g/mol |
4 |
11 |
2.2038 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 4 1 N 5 O 5 S / c 1 - 1 3 ( 2 ) 1 2 - 1 4 ( 1 7 ( 2 9 ) 2 6 - 1 9 ( 3 1 ) 1 6 ( 2 4 - 8 ) 2 2 ( 3 , 4 ) 5 ) 2 5 - 1 8 ( 3 0 ) 1 5 ( 3 4 ) 1 0 - 1 1 - 2 8 - 2 0 ( 3 2 ) 2 3 ( 6 , 7 ) 2 7 ( 9 ) 2 1 ( 2 8 ) 3 3 / h 1 3 - 1 6 , 2 4 , 3 4 H , 1 0 - 1 2 H 2 , 1 - 9 H 3 , ( H , 2 5 , 3 0 ) ( H , 2 6 , 2 9 , 3 1 ) / t 1 4 - , 1 5 - , 1 6 + / m 0 / s 1 |
| InChIKey |
B W L O J M Z L T B B D H A - H R C A D A O N S A - N
|
| Links |
|
Gene
(3 /
9)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Multitarget | MMP1 | | | Discontinued target | | TTD | Inhibitor | MMP1 | | | Discontinued target | | TTD | Drug(s) | MMP1 | | | Discontinued target | | TTD | Multitarget | MMP2 | | | Discontinued target | | TTD | Inhibitor | MMP2 | | | Discontinued target | | TTD | Drug(s) | MMP2 | | | Discontinued target | | TTD | Multitarget | MMP7 | | | Discontinued target | | TTD | Inhibitor | MMP7 | | | Discontinued target | | TTD | Drug(s) | MMP7 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
