GANAXOLONE

Search structure
Synonyms:
Status: Approved (2022)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 98WI44OHIQ

Structure
InChI Key PGTVWKLGGCQMBR-FLBATMFCSA-N
Smile CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H36O2
Molecular Weight 332.53
AlogP 4.99
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
103-266 42 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Status Epilepticus 3 D013226 ClinicalTrials
Seizures 3 D012640 ClinicalTrials
Spasms, Infantile 2 D013036 ClinicalTrials
Epilepsies, Partial 2 D004828 ClinicalTrials
Fragile X Syndrome 2 D005600 ClinicalTrials
Epilepsy 2 D004827 ClinicalTrials
Smoking Cessation 2 D016540 ClinicalTrials
Epilepsy, Complex Partial 2 D017029 ClinicalTrials
Tuberous Sclerosis 2 D014402 ClinicalTrials
Stress Disorders, Post-Traumatic 2 D013313 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 38398-32-2
ChEMBL CHEMBL1568698
DrugBank DB05087
EPA CompTox DTXSID6046503
FDA SRS 98WI44OHIQ
PubChem 6918305
SureChEMBL SCHEMBL144522
ZINC ZINC000003824281
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