Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0I6AN
|
|||
| Former ID |
DIB021012
|
|||
| Drug Name |
T140
|
|||
| Synonyms |
[L-3-(2-naphthyl)-alanine3]-T134
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C90H141N33O18S2
|
|||
| Canonical SMILES |
C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
|
|||
| InChI |
1S/C90H141N33O18S2/c91-35-5-3-17-58-74(129)116-63(18-4-6-36-92)83(138)123-43-13-24-70(123)82(137)120-66(46-51-28-33-56(125)34-29-51)78(133)115-61(21-10-40-108-88(100)101)73(128)113-62(22-11-42-110-90(104)141)76(131)121-68(80(135)117-64(84(139)140)23-12-41-109-89(102)103)48-142-143-49-69(81(136)119-65(45-50-26-31-55(124)32-27-50)77(132)114-60(72(127)112-58)20-9-39-107-87(98)99)122-79(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-75(130)59(19-8-38-106-86(96)97)111-71(126)57(93)16-7-37-105-85(94)95/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,130)(H,119,136)(H,120,137)(H,121,131)(H,122,134)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1
|
|||
| InChIKey |
IMOHHNXUCDZLKM-ADZSTZGASA-N
|
|||
| CAS Number |
CAS 229030-20-0
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-X-C chemokine receptor type 4 (CXCR4) | Target Info | Antagonist | [2] |
| 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 | 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: 853). | |||
| REF 2 | A 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.