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
Logarithm of the Partition Coefficient (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
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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

1 Progress medicinal chem PMC37H. Page(48).
2 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
3 Effect of dexloxiglumide and spiroglumide, two new CCK-receptor antagonists, on gastric emptying and secretion in the rat: evaluation of their receptor selectivity in vivo. Aliment Pharmacol Ther. 1996 Jun;10(3):411-9.