EP-7041   Click here for help

GtoPdb Ligand ID: 11990

Synonyms: EP7041
Compound class: Synthetic organic
Comment: EP-7041 is a parenteral, selective small-molecule activated factor XIa inhibitor [1]. It has a very short half-life compared with other FXIa-targeted therapeutics such as the anti-FXIa mAb osocimab, and therefore exerts a short-lived antithrombotic effect.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 125.62
Molecular weight 374.2
XLogP 0.03
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)[C@@H]1[C@@H](Cc2ccnc(c2)N)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C
Isomeric SMILES Nc1nccc(c1)C[C@@H]1[C@H](N(C1=O)C(=O)N[C@H](C)C1CCCCC1)C(=O)O
InChI InChI=1S/C19H26N4O4/c1-11(13-5-3-2-4-6-13)22-19(27)23-16(18(25)26)14(17(23)24)9-12-7-8-21-15(20)10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3,(H2,20,21)(H,22,27)(H,25,26)/t11-,14-,16+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1R)-1-cyclohexylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
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Database Links Click here for help
GtoPdb PubChem SID 464244131
PubChem CID 118291958
Search Google for chemical match using the InChIKey NYPSZHLKEMYZKK-XFJVYGCCSA-N
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UniChem Compound Search for chemical match using the InChIKey NYPSZHLKEMYZKK-XFJVYGCCSA-N
UniChem Connectivity Search for chemical match using the InChIKey NYPSZHLKEMYZKK-XFJVYGCCSA-N