General Information of Drug (ID: DMQ2O8V)

Drug Name
CHF-3381
Synonyms
Indantadol; UNII-Z3867B9SQP; Z3867B9SQP; Indantadol [INN]; CHF 3381; N-(2-Indanyl)glycinamide hydrochloride; 2-(2-indanylamino)acetamide; SCHEMBL399565; ZINC9005; MolPort-015-094-768; MNLULKBKWKTZPE-UHFFFAOYSA-N; AKOS009549166
Indication
Disease Entry ICD 11 Status REF
Neuropathic pain 8E43.0 Phase 2 [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 226.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C11H15ClN2O
IUPAC Name
2-(2,3-dihydro-1H-inden-2-ylamino)acetamide;hydrochloride
Canonical SMILES
C1C(CC2=CC=CC=C21)NCC(=O)N.Cl
InChI
InChI=1S/C11H14N2O.ClH/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10;/h1-4,10,13H,5-7H2,(H2,12,14);1H
InChIKey
JPNNIRXUJSPGRM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10198454
CAS Number
202914-18-9
TTD ID
D04RCT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [2]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [2]
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Neuropathic pain
ICD Disease Classification 8E43.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Indantadol, a novel NMDA antagonist and nonselective MAO inhibitor for the potential treatment of neuropathic pain. IDrugs. 2007 Sep;10(9):636-44.
2 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.