Details of the Drug

General Information of Drug (ID: DMFVYID)

Drug Name
LY-353433
Synonyms LY-343031; LY-343032; LY-314580 (oxalate); LY-350355 (maleate)
Indication
Disease Entry ICD 11 Status REF
Inflammatory bowel disease DD72 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 491.7
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C29H41N5O2
IUPAC Name
N-[2-[4-(adamantane-1-carbonylamino)piperidin-1-yl]ethyl]-1-propan-2-ylindazole-3-carboxamide
Canonical SMILES
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCCN3CCC(CC3)NC(=O)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C29H41N5O2/c1-19(2)34-25-6-4-3-5-24(25)26(32-34)27(35)30-9-12-33-10-7-23(8-11-33)31-28(36)29-16-20-13-21(17-29)15-22(14-20)18-29/h3-6,19-23H,7-18H2,1-2H3,(H,30,35)(H,31,36)
InChIKey
QEZYDSSGVBTNBH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9826941
CAS Number
176390-32-2
TTD ID
D09BHA

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 Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Inflammatory bowel disease
ICD Disease Classification DD72
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 800007508)
2 LY353433, a potent, orally effective, long-acting 5-HT(4) receptor antagonist: comparison to cisapride and RS23597-190. J Pharmacol Exp Ther. 1996 Apr;277(1):97-104.