oprozomib   Click here for help

GtoPdb Ligand ID: 8739

Synonyms: ONX 0912 | ONX-0912 | PR-047
Compound class: Synthetic organic
Comment: Oprozomib is an orally bioavailable derivative of carfilzomib, with similar biological action, i.e. inhibition of the chymotrypsin-like activity (a.k.a. β5 activity) of the proteasome [1-2]. This is compound 58 in [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 176.49
Molecular weight 532.2
XLogP -1.24
No. Lipinski's rules broken 2
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Canonical SMILES COCC(C(=O)NC(C(=O)C1(C)OC1)Cc1ccccc1)NC(=O)C(NC(=O)c1cnc(s1)C)COC
Isomeric SMILES COC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc(s1)C)COC
InChI InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9597 oprozomib
Synonyms Click here for help
ONX 0912 | ONX-0912 | PR-047
Database Links Click here for help
CAS Registry No. 935888-69-0 (source: INN document)
GtoPdb PubChem SID 252827397
PubChem CID 25067547
Search Google for chemical match using the InChIKey SWZXEVABPLUDIO-WSZYKNRRSA-N
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