vamorolone   Click here for help

GtoPdb Ligand ID: 9247

Synonyms: Agamree® | VBP-15 | VBP15
Approved drug Immunopharmacology Ligand
vamorolone is an approved drug (FDA & EMA (2023))
Compound class: Synthetic organic
Comment: Vamorolone (VBP15) is a novel, oral non-hormonal steroid modulator, that was investigated in Duchenne muscular dystrophy. It is a multi-functional drug that exhibits anti-inflammatory, membrane stabilisation, and mineralocorticoid receptor antagonist activities. Vamorolone was proposed as a potential replacement for the corticosteroids that are currently used in DMD, as it appears to cause fewer of the common corticosteroid adverse effects [4].
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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
Approved drug? Yes (FDA & EMA (2023))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10419 vamorolone
Synonyms Click here for help
Agamree® | 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