vamorolone   Click here for help

GtoPdb Ligand ID: 9247

Synonyms: VBP-15 | VBP15
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Vamorolone (VBP15) is a novel, oral non-hormonal steroid modulator, that is being investigated in Duchenne muscular dystrophy. It is a multi-functional drug that exhibits anti-inflammatory, membrane stabilisation, and mineralocorticoid receptor antagonist activities. Vamorolone is being proposed as a potential replacement for the corticosteroids that are currently used in DMD, as it appears to cause fewer of the common corticosteroids adverse effects [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 74.6
Molecular weight 356.2
XLogP 2.49
No. Lipinski's rules broken 0
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Canonical SMILES OCC(=O)C1(O)C(C)CC2C1(C)CC=C1C2CCC2=CC(=O)C=CC12C
Isomeric SMILES OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=CC(=O)C=C[C@]12C
InChI InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/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
10419 vamorolone
Synonyms Click here for help
VBP-15 | VBP15
Database Links Click here for help
BindingDB Ligand 50432396
CAS Registry No. 13209-41-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL2348780
GtoPdb PubChem SID 315661322
PubChem CID 3035000
Search Google for chemical match using the InChIKey ZYTXTXAMMDTYDQ-DGEXFFLYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZYTXTXAMMDTYDQ-DGEXFFLYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZYTXTXAMMDTYDQ-DGEXFFLYSA-N