Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H3IS
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| Former ID |
DNC013621
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| Drug Name |
SNEWIQPRLPQH
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| Synonyms |
CHEMBL448652; SNEWIQPRLPQH
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C67H101N21O19
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CN=CN3)C(=O)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CO)N
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| InChI |
1S/C67H101N21O19/c1-5-34(4)54(86-60(100)44(26-35-29-76-39-12-7-6-11-37(35)39)83-57(97)42(18-21-53(93)94)78-59(99)45(28-52(71)92)82-55(95)38(68)31-89)63(103)81-43(17-20-51(70)91)64(104)87-23-9-14-48(87)61(101)79-40(13-8-22-75-67(72)73)56(96)84-46(25-33(2)3)65(105)88-24-10-15-49(88)62(102)80-41(16-19-50(69)90)58(98)85-47(66(106)107)27-36-30-74-32-77-36/h6-7,11-12,29-30,32-34,38,40-49,54,76,89H,5,8-10,13-28,31,68H2,1-4H3,(H2,69,90)(H2,70,91)(H2,71,92)(H,74,77)(H,78,99)(H,79,101)(H,80,102)(H,81,103)(H,82,95)(H,83,97)(H,84,96)(H,85,98)(H,86,100)(H,93,94)(H,106,107)(H4,72,73,75)/t34-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-/m0/s1
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| InChIKey |
BMZQNOXMUPLPCR-PBLORMCUSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Ephrin type-B receptor 2 (EPHB2) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Axon guidance | |||
| Panther Pathway | Angiogenesis | |||
| Pathway Interaction Database | EPHB forward signaling | |||
| EphrinB-EPHB pathway | ||||
| Syndecan-2-mediated signaling events | ||||
| Ephrin B reverse signaling | ||||
| Reactome | EPH-Ephrin signaling | |||
| L1CAM interactions | ||||
| EPHB-mediated forward signaling | ||||
| EPH-ephrin mediated repulsion of cells | ||||
| WikiPathways | Transcriptional activation by NRF2 | |||
| NLR Proteins | ||||
| Regulation of Microtubule Cytoskeleton | ||||
| L1CAM interactions | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition. J Biol Chem. 2007 Dec 14;282(50):36505-13. | |||
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