Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04BPQ
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| Former ID |
DIB019338
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| Drug Name |
PMID23692593C20
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| Synonyms |
Ahx-FSQn(boro)Bpg; GTPL8486; BDBM50434142
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C33H55BBrN7O9
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| Canonical SMILES |
B(C(CCCBr)NC(=O)C(CCCC)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCN)(O)O
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| InChI |
1S/C33H55BBrN7O9/c1-2-3-13-23(31(47)42-27(34(50)51)14-10-18-35)39-30(46)24(16-17-28(37)44)40-33(49)26(21-43)41-32(48)25(20-22-11-6-4-7-12-22)38-29(45)15-8-5-9-19-36/h4,6-7,11-12,23-27,43,50-51H,2-3,5,8-10,13-21,36H2,1H3,(H2,37,44)(H,38,45)(H,39,46)(H,40,49)(H,41,48)(H,42,47)/t23-,24-,25-,26-,27+/m0/s1
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| InChIKey |
AKGOAAVLALZKCN-JSLVBRCRSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostate specific antigen (KLK3) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Pathways in cancer | |||
| Prostate cancer | ||||
| Pathway Interaction Database | Coregulation of Androgen receptor activity | |||
| Regulation of Androgen receptor activity | ||||
| FOXA1 transcription factor network | ||||
| Reactome | Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||
| Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 | ||||
| WikiPathways | Prostate Cancer | |||
| Androgen receptor signaling pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structural optimization, biological evaluation, and application of peptidomimetic prostate specific antigen inhibitors. J Med Chem. 2013 Jun 13;56(11):4224-35. | |||
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