Drug Details

General Information of the Drug (ID: DR0448)
Name
Leptin
Disease Posthemorrhagic neurogenesis Investigative
Structure
Click to Download Mol
2D MOL

3D MOL

    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C87H138N22O28S2
PubChem CID
157010069
Canonical SMILES
CC(C)C[C@@H](C(=N[C@@H](CCC(=N)O)C(=NCC(=N[C@@H](CO)C(=N[C@@H](CC(C)C)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CCSC)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CC(C)C)C(=N[C@@H](CO)C(=O)N3CCC[C@H]3C(=NCC(=N[C@@H](CS)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N
InChI
InChI=1S/C87H138N22O28S2/c1-41(2)27-48(88)72(121)97-50(18-21-65(89)112)73(122)93-36-68(115)95-61(38-110)84(133)104-54(28-42(3)4)77(126)98-52(20-23-67(91)114)75(124)106-59(33-70(117)118)82(131)100-53(24-26-139-11)76(125)102-55(29-43(5)6)78(127)105-58(32-46-35-92-49-16-13-12-15-47(46)49)81(130)99-51(19-22-66(90)113)74(123)101-56(30-44(7)8)79(128)107-60(34-71(119)120)83(132)103-57(31-45(9)10)80(129)108-62(39-111)86(135)109-25-14-17-64(109)85(134)94-37-69(116)96-63(40-138)87(136)137/h12-13,15-16,35,41-45,48,50-64,92,110-111,138H,14,17-34,36-40,88H2,1-11H3,(H2,89,112)(H2,90,113)(H2,91,114)(H,93,122)(H,94,134)(H,95,115)(H,96,116)(H,97,121)(H,98,126)(H,99,130)(H,100,131)(H,101,123)(H,102,125)(H,103,132)(H,104,133)(H,105,127)(H,106,124)(H,107,128)(H,108,129)(H,117,118)(H,119,120)(H,136,137)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
InChIKey
NRYBAZVQPHGZNS-ZSOCWYAHSA-N
CAS Number
169494-85-3
ChEBI ID
DB05098
TTD Drug ID
D0C6TL
Target and Pathway
Target(s) PI3-kinase alpha  Molecule Info 
Protein kinase B alpha (AKT1)  Molecule Info 
STAT factor 3 (STAT3)  Molecule Info