Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01XHU
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| Former ID |
DIB003810
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| Drug Name |
AN-207
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| Synonyms |
D-26232; Doxorubicin-analog-[D-Lys(6)]LHRH conjugate, Tulane University/Zentaris
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Investigative | [1] | |
| Company |
Tulane University
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| Structure |
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Download2D MOL
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| Formula |
C95H121N19O26
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| Canonical SMILES |
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCCC(=O)NCCCCC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CO)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)O)N1CCC=C1)O
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| InChI |
1S/C95H121N19O26/c1-48(2)35-61(87(129)107-60(19-13-31-101-94(97)98)93(135)114-34-14-20-66(114)92(134)103-44-71(96)118)108-85(127)58(106-88(130)62(36-50-24-26-53(116)27-25-50)109-91(133)65(45-115)112-89(131)63(37-51-42-102-57-17-6-5-15-54(51)57)110-90(132)64(38-52-43-99-47-104-52)111-86(128)59-28-29-73(120)105-59)18-7-8-30-100-72(119)22-12-23-74(121)138-46-70(117)95(136)40-56-77(69(41-95)140-75-39-67(80(122)49(3)139-75)113-32-9-10-33-113)84(126)79-78(82(56)124)81(123)55-16-11-21-68(137-4)76(55)83(79)125/h5-6,9,11,15-17,21,24-27,32,42-43,47-49,58-67,69,75,80,102,115-116,122,124,126,136H,7-8,10,12-14,18-20,22-23,28-31,33-41,44-46H2,1-4H3,(H2,96,118)(H,99,104)(H,100,119)(H,103,134)(H,105,120)(H,106,130)(H,107,129)(H,108,127)(H,109,133)(H,110,132)(H,111,128)(H,112,131)(H4,97,98,101)/t49-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,69-,75-,80+,95-/m0/s1
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| InChIKey |
OIUSKDFJNIKIQX-OACKXKLTSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gonadotropin-releasing hormone receptor (GNRHR) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| GnRH signaling pathway | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Reactome | Hormone ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| 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. (Target id: 256). | |||
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