Details of the Drug

General Information of Drug (ID: DMWF95G)

Drug Name
E-3620
Indication
Disease Entry ICD 11 Status REF
Gastric motility disorder DA21 Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 412.3
Topological Polar Surface Area Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C20H27Cl2N3O2
IUPAC Name
4-amino-5-chloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2S)-pent-3-yn-2-yl]oxybenzamide;hydrochloride
Canonical SMILES
CC#C[C@H](C)OC1=CC(=C(C=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)Cl)N.Cl
InChI
InChI=1S/C20H26ClN3O2.ClH/c1-4-5-12(2)26-19-11-18(22)17(21)10-16(19)20(25)23-13-8-14-6-7-15(9-13)24(14)3;/h10-15H,6-9,22H2,1-3H3,(H,23,25);1H/t12-,13?,14-,15+;/m0./s1
InChIKey
GMHMNKHDLXRRGF-LZMJSSQSSA-N
Cross-matching ID
PubChem CID
11281359
CAS Number
151213-86-4
TTD ID
D0Y0SY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [2]
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Gastric motility disorder
ICD Disease Classification DA21
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

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