Details of the Drug

General Information of Drug (ID: DMEHO9G)

Drug Name

NC043

Synonyms

15-oxospiramilactone; 1053172-87-4; Q35479640

Indication

Disease Entry	ICD 11	Status	REF
Neurodegenerative disorder	8A20-8A23	Preclinical	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

358.5

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H30O4
IUPAC Name: (1S,2S,4S,7R,8R,10R,11S)-8-hydroxy-11-methyl-5-methylidene-14-oxapentacyclo[9.5.3.24,7.01,10.02,7]henicosane-6,16-dione
Canonical SMILES: C[C@@]12CCC[C@@]3([C@@H]1C[C@H]([C@]45[C@H]3C[C@H](CC4)C(=C)C5=O)O)C(=O)COCC2
InChI: InChI=1S/C22H30O4/c1-13-14-4-7-22(19(13)25)16(10-14)21-6-3-5-20(2,15(21)11-17(22)23)8-9-26-12-18(21)24/h14-17,23H,1,3-12H2,2H3/t14-,15+,16-,17+,20-,21-,22+/m0/s1
InChIKey: RCPPZYXWUAJXMA-KGYWYPJXSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ubiquitin carboxyl-terminal hydrolase 30 (USP30)	TTQ9EDI	UBP30_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A small natural molecule promotes mitochondrial fusion through inhibition of the deubiquitinase USP30. Cell Res. 2014 Apr;24(4):482-96.