Details of the Drug

General Information of Drug (ID: DM6RVXU)

Drug Name
SK-951
Indication
Disease Entry ICD 11 Status REF
Gastrointestinal disease DE2Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 480
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 8
Chemical Identifiers
Formula
C23H30ClN3O6
IUPAC Name
(2S)-4-amino-5-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide;(E)-but-2-enedioic acid
Canonical SMILES
C[C@H]1CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NCCC34CCCN3CCC4.C(=C/C(=O)O)\\C(=O)O
InChI
InChI=1S/C19H26ClN3O2.C4H4O4/c1-12-10-13-16(21)15(20)11-14(17(13)25-12)18(24)22-7-6-19-4-2-8-23(19)9-3-5-19;5-3(6)1-2-4(7)8/h11-12H,2-10,21H2,1H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-;/m0./s1
InChIKey
ILIMVHLSANAUTN-GYDOPSIJSA-N
Cross-matching ID
PubChem CID
9847989
TTD ID
D0PN9E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Gastrointestinal disease
ICD Disease Classification DE2Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 4 receptor (HTR4) DTT HTR4 6.16E-01 -0.03 -0.24
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800011740)
2 Identification of SK-951, a novel benzofuran derivative, as an agonist to 5-HT4 receptors. Jpn J Pharmacol. 1999 Feb;79(2):203-12.