General Information of the Compound
| Compound ID |
CP0267602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Analog of Dynorphin A
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C70H113N19O17
|
||||||||||||||||||
| Molecular Weight |
1492.79
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C70H113N19O17/c1-7-41(6)58(67(103)79-36-46(74)68(104)89-30-16-22-54(89)66(102)83-47(19-11-13-27-71)60(96)85-50(31-39(2)3)62(98)84-49(69(105)106)20-12-14-28-72)88-61(97)48(21-15-29-77-70(75)76)82-65(101)53(35-57(93)94)87-63(99)51(32-40(4)5)86-64(100)52(34-42-17-9-8-10-18-42)81-56(92)38-78-55(91)37-80-59(95)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-74H2,1-6H3,(H,78,91)(H,79,103)(H,80,95)(H,81,92)(H,82,101)(H,83,102)(H,84,98)(H,85,96)(H,86,100)(H,87,99)(H,88,97)(H,93,94)(H,105,106)(H4,75,76,77)/t41-,45-,46+,47-,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCCFTXSJJFHTKK-ONRJLGDDSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT01188, Kappa-type opioid receptor
Protein ID: PT01352, Mu-type opioid receptor