Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04PGW
|
|||
| Former ID |
DNC012149
|
|||
| Drug Name |
[(40-OH)MeLeu]4-Cyclosporin A
|
|||
| Synonyms |
[(40-OH)MeLeu]4-Cyclosporin A; CHEMBL442519; AC1O51FB; [(4'-OH)MeLeu]4-CsA; SCHEMBL18736971; [.gamma.-Hydroxy-MeLeu]4-CsA; DFZMWWCBMPCKFD-DTLHCQOUSA-N; [gamma-hydroxy-MeLeu]4 -Ciclosporin; BDBM50136487; [.gamma.-Hydroxy-MeLeu]4-Ciclosporin; [.gamma.-Hydroxy-MeLeu]4-Cyclosporin
Click to Show/Hide
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C62H111N11O13
|
|||
| Canonical SMILES |
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)(C)O)C)C
|
|||
| InChI |
1S/C62H111N11O13/c1-25-27-28-39(13)51(75)50-55(79)65-42(26-2)57(81)67(18)33-47(74)68(19)46(32-62(16,17)86)54(78)66-48(37(9)10)60(84)69(20)43(29-34(3)4)53(77)63-40(14)52(76)64-41(15)56(80)70(21)44(30-35(5)6)58(82)71(22)45(31-36(7)8)59(83)72(23)49(38(11)12)61(85)73(50)24/h25,27,34-46,48-51,75,86H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50?,51-/m1/s1
|
|||
| InChIKey |
DFZMWWCBMPCKFD-DTLHCQOUSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Reverse transcriptase (HIV RT) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis of non-immunosuppressive cyclophilin-Binding cyclosporin A derivatives as potential anti-HIV-1 drugs. Bioorg Med Chem Lett. 2003 Dec 15;13(24):4415-9. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.