Drug General Information
Drug ID
D04RSC
Former ID
DNC007675
Drug Name
OM00-3
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528788]
Structure
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2D MOL

3D MOL

Formula
C44H69N7O15
Canonical SMILES
CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C<br />C1=CC=CC=C1)C(=O)O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(<br />=O)C(CCC(=O)O)N
InChI
1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32+,33+,37+/m1/s1
InChIKey
CFIWWTUUSMMDDA-IQRKPKHNSA-N
PubChem Compound ID
Target and Pathway
Target(s) Beta-secretase Target Info Inhibitor [528788]
References
Ref 528788Bioorg Med Chem. 2007 Jun 15;15(12):4136-43. Epub 2007 Mar 30.Synthesis and biological evaluation of phosphino dipeptide isostere inhibitor of human beta-secretase (BACE1).
Ref 528788Bioorg Med Chem. 2007 Jun 15;15(12):4136-43. Epub 2007 Mar 30.Synthesis and biological evaluation of phosphino dipeptide isostere inhibitor of human beta-secretase (BACE1).

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