Drug Information

Drug General Information
Drug ID
D02IJB
Former ID
DNC001326
Drug Name
SIB-1533A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535007]
Structure
Download
2D MOL

3D MOL
Formula
C80H107Cl3N11O27P
Canonical SMILES
CCCCCCCCCCNCCNC1(CC(OC(C1O)C)OC2C(C(C(OC2OC3=C4C=C5C=C3<br />OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C<br />8)O)C9=C(C(=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7<br />=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)<br />Cl)CO)O)O)C.Cl
InChI
1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1
InChIKey
GSSIWSIRBWAZHG-ACOPVEIWSA-N
CAS Number
CAS 372151-71-8
PubChem Compound ID
9812715
PubChem Substance ID
14768788, 24117897, 44848694, 47207715, 50465378, 134222397, 134340527, 160646134, 175266056, 175427069, 242651870
Target and Pathway
Target(s) Nicotinic acetylcholine receptoralpha2 / alpha3 Target Info Agonist [535007]
References
Ref 535007Nicotine, brain nicotinic receptors, and neuropsychiatric disorders. Arch Med Res. 2000 Mar-Apr;31(2):131-44.
Ref 535007Nicotine, brain nicotinic receptors, and neuropsychiatric disorders. Arch Med Res. 2000 Mar-Apr;31(2):131-44.

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