Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0B3UN
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| Former ID |
DIB020874
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| Drug Name |
RXP470.1
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| Synonyms |
RXP470.1; CHEMBL507420; N-[(2s)-3-[(S)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-{[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5-Yl]methyl}propanoyl]-L-Alpha-Glutamyl-L-Alpha-Glutamine; R47; GTPL7812; BDBM50265078; (4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hydroxy)phosphoryl)-2-((3-(3''-chlorobiphenyl-4-yl)isoxazol-5-yl)methyl)propanamido)-4-carboxybutanamido)-5-oxopentanoic acid
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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 |
C35H35BrClN4O10P
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| Canonical SMILES |
C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)C3=NOC(=C3)CC(CP(=O)(C4=CC=C(C=C4)Br)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N
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| InChI |
1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
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| InChIKey |
PTUCPHGSAFOJAU-MGONOCMRSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Matrix metalloproteinase-12 (MMP-12) | Target Info | Inhibitor | [1] |
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL5 Signaling Pathway | ||||
| Pathway Interaction Database | Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling | |||
| Reactome | Collagen degradation | |||
| Degradation of the extracellular matrix | ||||
| WikiPathways | TGF beta Signaling Pathway | |||
| Degradation of collagen | ||||
| Matrix Metalloproteinases | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J Med Chem. 2013 Feb 14;56(3):1149-59. | |||
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