Details of the Drug

General Information of Drug (ID: DMXJMKF)

Drug Name

Ganaxolone

Synonyms

Ganaxolone [USAN]; CCD 1042; CCD-1042; Ganaxolone (USAN/INN); (3alpha,5alpha)-3-Hydroxy-3-methylpregnan-20-one; 1-[(3R,5S,10S,13S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone; 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone; 3alpha-Hydroxy-3-methyl-5alpha-pregnan-20-one; 3alpha-Hydroxy-3beta-methyl-5alpha-pregnan-20-one

Indication

Disease Entry	ICD 11	Status	REF
Epileptic seizures	8A61-8A6Z	Approved	[1]
Complex partial seizure	8A68.0	Phase 3	[2]
Postpartum depression	6E20.0	Phase 2	[3]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

332.5

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 1.3 - 1.9 hours [4]

Chemical Identifiers

Formula: C22H36O2
IUPAC Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Canonical SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(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
InChIKey: PGTVWKLGGCQMBR-FLBATMFCSA-N

Cross-matching ID

PubChem CID: 6918305
CAS Number: 38398-32-2
DrugBank ID: DB05087
TTD ID: D0X0CH

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor (GABAR)	TTCI43M	NOUNIPROTAC	Modulator	[1]
GABA(A) receptor delta (GABRD)	TTGXH6N	GBRD_HUMAN	Modulator	[5]
GABA(A) receptor gamma-3 (GABRG3)	TTEX6LM	GBRG3_HUMAN	Agonist	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	FDA Approved Drug Products from FDA Official Website. 2022. Application Number: 215904.
2	ClinicalTrials.gov (NCT01963208) Phase 3 Study of Adjunctive Ganaxolone in Adults With Drug-resistant Partial Onset Seizures and Open-label Extension. U.S. National Institutes of Health.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5	Ganaxolone, a selective, high-affinity steroid modulator of the gamma-aminobutyric acid-A receptor, exacerbates seizures in animal models of absence. Ann Neurol. 1998 Oct;44(4):688-91.