Details of the Drug

General Information of Drug (ID: DMI4C90)

Drug Name

HF-0220

Synonyms

Cytoprotective steroid (Alzheimer's disease), Newron; Prostaglandin D synthase stimulator (Alzheimer's disease), Newron; Prostaglandin J2 synthesis stimulator (Alzheimer's disease), Newron; Cytoprotective steroid (Alzheimer's disease), Hunter-Fleming; Prostaglandin D synthase stimulator (Alzheimer's disease), Hunter-Fleming; Prostaglandin J2 synthesis stimulator (Alzheimer's disease), Hunter-Fleming

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

306.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H30O3
IUPAC Name: (3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Canonical SMILES: C[C@]12CC[C@@H](C[C@@H]1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)O
InChI: InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17+,18+,19+/m1/s1
InChIKey: VFPMCLQMAUVEHD-UCPSWNCLSA-N

Cross-matching ID

PubChem CID: 9836181
CAS Number: 25848-69-5
UNII: OCP3E5KD08
DrugBank ID: DB06622
TTD ID: D02AOD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutathione-dependent PGD synthase (HPGDS)	TTCYE56	HPGDS_HUMAN	Stimulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Alzheimer disease

ICD Disease Classification

8A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutathione-dependent PGD synthase (HPGDS)	DTT	HPGDS	1.63E-05	0.34	0.71

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00357357) European Study of HF0220 in Mild to Moderate Alzheimer's Disease Patients. U.S. National Institutes of Health.
2	US patent application no. 2009,0062,529, Multi-cyclic compounds.