Details of the Drug

General Information of Drug (ID: DM7NJWY)

Drug Name
Spiroglumide
Synonyms
UNII-EZS5V8UN4Y; 137795-35-8; EZS5V8UN4Y; CHEMBL283820; CR-2194; (4R)-5-(8-azaspiro[45]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid; (R)-gamma-(3,5-Dichlorobenzamido)-delta-oxo-8-azaspiro(45)decane-8-valeric acid; Spiroglumide [INN]; AC1Q3LYL; AC1L24DH; SCHEMBL7920324; CTK0H9697; DTXSID60160311; FJCZHMXAGBYXHJ-QGZVFWFLSA-N; BDBM50048772; (R)-5-(8-Aza-spiro[45]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoic acid; Radaxafine HCl
Indication
Disease Entry ICD 11 Status REF
Stomach disease DA43-DA4Y Phase 2 [1]
Neuropathic pain 8E43.0 Discontinued in Phase 1 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 441.3
Topological Polar Surface Area (xlogp) 4.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H26Cl2N2O4
IUPAC Name
(4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid
Canonical SMILES
C1CCC2(C1)CCN(CC2)C(=O)[C@@H](CCC(=O)O)NC(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C21H26Cl2N2O4/c22-15-11-14(12-16(23)13-15)19(28)24-17(3-4-18(26)27)20(29)25-9-7-21(8-10-25)5-1-2-6-21/h11-13,17H,1-10H2,(H,24,28)(H,26,27)/t17-/m1/s1
InChIKey
FJCZHMXAGBYXHJ-QGZVFWFLSA-N
Cross-matching ID
PubChem CID
65987
CAS Number
137795-35-8
TTD ID
D04KHY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine transporter (DAT) TTVBI8W SC6A3_HUMAN Inhibitor [2]
Gastrin/cholecystokinin type B receptor (CCKBR) TTVFO0U GASR_HUMAN Antagonist [3]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Stomach disease
ICD Disease Classification DA43-DA4Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine transporter (DAT) DTT SLC6A3 1.08E-03 -3.08 -1.99
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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