ganaxolone   Click here for help

GtoPdb Ligand ID: 11942

Synonyms: CCD-1042 | CCD1042 | Ztalmy®
Approved drug
ganaxolone is an approved drug (FDA (2022))
Compound class: Synthetic organic
Comment: Ganaxolone is a synthetic analogue of the neuroactive steroid allopregnanolone (5α-pregnan-3α-ol-20-one). Its anti-seizure effect is likely associated with its activity as a positive allosteric modulator of the GABAA receptor [1,3-4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 332.27
XLogP 6.51
No. Lipinski's rules broken 1
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Canonical SMILES CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@](C2)(C)O
Isomeric SMILES CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@@H]2[C@@]1(CC[C@@](C2)(C)O)C)C
InChI InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2022))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7476 ganaxolone
Synonyms Click here for help
CCD-1042 | CCD1042 | Ztalmy®
Database Links Click here for help
BindingDB Ligand 50369240
CAS Registry No. 38398-32-2 (source: WHO INN record)
ChEMBL Ligand CHEMBL1568698
DrugBank Ligand DB05087
GtoPdb PubChem SID 461663497
PubChem CID 6918305
Search Google for chemical match using the InChIKey PGTVWKLGGCQMBR-FLBATMFCSA-N
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UniChem Compound Search for chemical match using the InChIKey PGTVWKLGGCQMBR-FLBATMFCSA-N
UniChem Connectivity Search for chemical match using the InChIKey PGTVWKLGGCQMBR-FLBATMFCSA-N