Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H4DF
|
|||
| Former ID |
DNC010530
|
|||
| Drug Name |
GALANTIDE
|
|||
| Synonyms |
52364-71-3; 4'-Pentyloxy-[1,1'-Biphenyl]-4-carbonitrile; 4-Pentyloxy-4'-cyanobiphenyl; 4-Cyano-4'-pentyloxybiphenyl; 4-Amyloxycyanodiphenyl; 5OCB; 4'-(pentyloxy)biphenyl-4-carbonitrile; [1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-; 5COB; M 15 (liquid crystal); NZh K 1; 4-Cyano-4'-pentoxybiphenyl; D 105 (stationary phase); Ro CB 5315; m 15; 4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile; EINECS 257-875-9; BRN 2215500; 4-(4-pentoxyphenyl)benzonitrile; D 105; 4'-(Pentyloxy)-(1,1'-biphenyl)-4-carbonitrile
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C104H151N25O26S
|
|||
| Canonical SMILES |
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)CN
|
|||
| InChI |
1S/C104H151N25O26S/c1-54(2)39-70(91(142)113-52-87(139)129-37-20-27-80(129)103(154)120-69(33-35-82(107)134)93(144)119-68(32-34-81(106)133)94(145)124-76(44-61-23-16-13-17-24-61)99(150)123-74(43-60-21-14-12-15-22-60)92(143)112-51-86(138)116-71(40-55(3)4)95(146)118-67(89(109)140)36-38-156-11)121-96(147)72(41-56(5)6)122-98(149)75(45-62-28-30-64(132)31-29-62)117-85(137)50-111-90(141)58(9)114-102(153)79(53-130)127-100(151)78(47-83(108)135)125-97(148)73(42-57(7)8)126-104(155)88(59(10)131)128-101(152)77(115-84(136)48-105)46-63-49-110-66-26-19-18-25-65(63)66/h12-19,21-26,28-31,49,54-59,67-80,88,110,130-132H,20,27,32-48,50-53,105H2,1-11H3,(H2,106,133)(H2,107,134)(H2,108,135)(H2,109,140)(H,111,141)(H,112,143)(H,113,142)(H,114,153)(H,115,136)(H,116,138)(H,117,137)(H,118,146)(H,119,144)(H,120,154)(H,121,147)(H,122,149)(H,123,150)(H,124,145)(H,125,148)(H,126,155)(H,127,151)(H,128,152)/t58-,59+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,88-/m0/s1
|
|||
| InChIKey |
TZOJVPDIYKRJSM-GKPUQKAJSA-N
|
|||
| CAS Number |
CAS 138579-66-5
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Galanin receptor type 1 (GAL1-R) | Target Info | Inhibitor | [2] |
| Galanin receptor type 2 (GAL2-R) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3896). | |||
| REF 2 | Engineering galanin analogues that discriminate between GalR1 and GalR2 receptor subtypes and exhibit anticonvulsant activity following systemic de... J Med Chem. 2010 Feb 25;53(4):1871-5. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.