| Collection |
D4 : TTD |
| Chemical Name |
Purvalanol B ( From PubChem : P U R V A L A N O L 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 |
| 432.904 g/mol |
4 |
8 |
4.0772 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 5 C l N 6 O 3 / c 1 - 1 0 ( 2 ) 1 5 ( 8 - 2 8 ) 2 4 - 2 0 - 2 5 - 1 7 ( 1 6 - 1 8 ( 2 6 - 2 0 ) 2 7 ( 9 - 2 2 - 1 6 ) 1 1 ( 3 ) 4 ) 2 3 - 1 2 - 5 - 6 - 1 3 ( 1 9 ( 2 9 ) 3 0 ) 1 4 ( 2 1 ) 7 - 1 2 / h 5 - 7 , 9 - 1 1 , 1 5 , 2 8 H , 8 H 2 , 1 - 4 H 3 , ( H , 2 9 , 3 0 ) ( H 2 , 2 3 , 2 4 , 2 5 , 2 6 ) / t 1 5 - / m 0 / s 1 |
| InChIKey |
Z K D X R F M O H Z V X S G - H N N X B M F Y S A - N
|
| Links |
|
Gene
(8 /
10)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Agonist | ADRB3 | | | Successful target | | TTD | Drug(s) | ADRB3 | | | Successful target | | TTD | Inhibitor | CDK1 | | | Clinical trial target | | TTD | Inhibitor | CDK2 | | | Clinical trial target | | TTD | Inhibitor | CDK2 | | | Clinical trial target | | TTD | Inhibitor | CDK4 | | | Clinical trial target | | TTD | Inhibitor | CDK5 | | | Research target | | TTD | Inhibitor | MAPK1 | | | Research target | | TTD | Inhibitor | MAPK3 | | | Research target | | PubChem | Potency | uM | 0.019 | YES1 |  | | GI(Protien) : |
|
| Download gene sets |
gmt, text, Detailed text
|
