Details of the Drug

General Information of Drug (ID: DMSF8B9)

Drug Name
GC-24
Synonyms
GC 24; N-[2-(dimethylamino)ethyl]-2-methylpropanamide; Propanamide, N-(2-(dimethylamino)ethyl)-2-methyl-; BRN 2350680; 63224-17-9; N-(2-(Dimethylamino)ethyl)-2-methylpropanamide; AC1MIL8W; SCHEMBL2624391; DTXSID70212592; MolPort-008-439-279; ZINC11638438; AKOS009104316; MCULE-5485385679; NE11932; LS-119191; N-(2-dimethylaminoethyl)-2-methylpropanamide; EN300-86303
Indication
Disease Entry ICD 11 Status REF
Hyperthyroidism 5A02 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 376.4
Logarithm of the Partition Coefficient (xlogp) 5.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H24O4
IUPAC Name
2-[4-[(3-benzyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
Canonical SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)CC3=CC=CC=C3)C)OCC(=O)O
InChI
InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)
InChIKey
JYHIGYLGYNCMGI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
448011
DrugBank ID
DB03788
TTD ID
D06WJC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thyroid hormone receptor beta (THRB) TTGER3L THB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.