Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04RSC
|
|||
| Former ID |
DNC007675
|
|||
| Drug Name |
OM00-3
|
|||
| Synonyms |
OM00-3; OM-00-3; CHEMBL390456; 1m4h; AC1L9KFC; SCHEMBL19502529; BDBM50210579; (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(4S,5S,7R)-5-hydroxy-8-[[(2S)-1-[[(2S)-5-hydroxy-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D 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(CC1=CC=CC=C1)C(=O)O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=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 | Top | |||
|---|---|---|---|---|
| Target(s) | Beta-secretase (BACE) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and biological evaluation of phosphino dipeptide isostere inhibitor of human beta-secretase (BACE1). Bioorg Med Chem. 2007 Jun 15;15(12):4136-43. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.