Drug Information

Drug General Information
Drug ID
D08NJD
Former ID
DIB021011
Drug Name
T134
Drug Type
Small molecular drug
Indication Discovery agent Investigative [543181]
Structure
Download
2D MOL
Formula
C94H152N38O19S2
InChI
InChI=1S/C94H152N38O19S2/c95-35-5-3-18-59-76(138)125-65(19-4-6-36-96)86(148)132-44-14-26-72(132)85(147)129-68(46-52-29-33-55(134)34-30-52)81(143)123-62(22-10-40-114-91(104)105)75(137)121-64(24-12-43-117-94(110)151)79(141)130-71(84(146)126-66(87(149)150)25-13-42-116-93(108)109)50-153-152-49-70(83(145)124-63(23-11-41-115-92(106)107)78(140)127-67(45-51-27-31-54(133)32-28-51)80(142)122-61(74(136)120-59)21-9-39-113-90(102)103)131-82(144)69(47-53-48-118-58-17-2-1-15-56(53)58)128-77(139)60(20-8-38-112-89(100)101)119-73(135)57(97)16-7-37-111-88(98)99/h1-2,15,17,27-34,48,57,59-72,118,133-134H,3-14,16,18-26,35-47,49-50,95-97H2,(H,119,135)(H,120,136)(H,121,137)(H,122,142)(H,123,143)(H,124,145)(H,125,138)(H,126,146)(H,127,140)(H,128,139)(H,129,147)(H,130,141)(H,131,144)(H,149,150)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H4,108,109,116)(H3,110,117,151)/t57-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-/m0/s1
InChIKey
ZFIUCXJWTNZDRW-UYROLUPNSA-N
PubChem Compound ID
16197445
PubChem Substance ID
623540, 40702105, 135652592
Target and Pathway
Target(s) C-X-C chemokine receptor 4 Target Info Antagonist [534819]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Endocytosis
Axon guidance
Leukocyte transendothelial migration
Intestinal immune network for IgA production
Pathways in cancer
NetPath Pathway IL2 Signaling Pathway
IL4 Signaling Pathway
Leptin Signaling Pathway
PANTHER Pathway Axon guidance mediated by Slit/Robo
Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database S1P3 pathway
CXCR4-mediated signaling events
Syndecan-4-mediated signaling events
HIF-1-alpha transcription factor network
Ephrin B reverse signaling
Reactome Binding and entry of HIV virion
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Hematopoietic Stem Cell Differentiation
HIV Life Cycle
Cardiac Progenitor Differentiation
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 543181(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: 852).
Ref 534819A low-molecular-weight inhibitor against the chemokine receptor CXCR4: a strong anti-HIV peptide T140. Biochem Biophys Res Commun. 1998 Dec 30;253(3):877-82.

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