Drug Information

Drug General Information
Drug ID
D07ABJ
Former ID
DNC012164
Drug Name
[(D)MeSer]3-[(40-OH) MeLeu]4-Cyclosporin A
Indication Discovery agent Investigative [526898]
Structure
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2D MOL

3D MOL
Formula
C63H113N11O14
Canonical SMILES
CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(<br />C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC<br />)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)<br />(C)O)C)CO)C
InChI
1S/C63H113N11O14/c1-25-27-28-39(13)51(76)50-55(80)66-42(26-2)57(82)72(22)47(33-75)60(85)71(21)46(32-63(16,17)88)54(79)67-48(37(9)10)61(86)68(18)43(29-34(3)4)53(78)64-40(14)52(77)65-41(15)56(81)69(19)44(30-35(5)6)58(83)70(20)45(31-36(7)8)59(84)73(23)49(38(11)12)62(87)74(50)24/h25,27,34-51,75-76,88H,26,28-33H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,46+,47-,48+,49+,50?,51-/m1/s1
InChIKey
XCXAXJCKONNWJE-HXEFTPTGSA-N
PubChem Compound ID
44358392
Target and Pathway
Target(s) HIV-1 reverse transcriptase Target Info Inhibitor [526898]
References
Ref 526898Bioorg Med Chem Lett. 2003 Dec 15;13(24):4415-9.Synthesis of non-immunosuppressive cyclophilin-Binding cyclosporin A derivatives as potential anti-HIV-1 drugs.
Ref 526898Bioorg Med Chem Lett. 2003 Dec 15;13(24):4415-9.Synthesis of non-immunosuppressive cyclophilin-Binding cyclosporin A derivatives as potential anti-HIV-1 drugs.

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