Details of the Drug

General Information of Drug (ID: DMUMGCY)

Drug Name
HP-290
Synonyms
Quilostigmine; NXX-066; UNII-2L1YNO4SQJ; 2L1YNO4SQJ; 139314-01-5; CHEMBL1243298; Quilostigmine [USAN:INN]; NXX 066; HP 290; AC1L30LY; Quilostigmine (USAN/INN); SCHEMBL28872; IIFRKALDATVOJE-GGAORHGYSA-N; BDBM50326265; (3aS,8aR)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl 3,4-dihydro-2(1H)-isoquinolinecarboxylate; D03823; 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-; NXX-066; QUILOSTIGMINE
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 377.5
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H27N3O2
IUPAC Name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
Canonical SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)N4CCC5=CC=CC=C5C4)C)C
InChI
InChI=1S/C23H27N3O2/c1-23-11-13-24(2)21(23)25(3)20-9-8-18(14-19(20)23)28-22(27)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,14,21H,10-13,15H2,1-3H3/t21-,23+/m1/s1
InChIKey
IIFRKALDATVOJE-GGAORHGYSA-N
Cross-matching ID
PubChem CID
132228
ChEBI ID
CHEMBL1243298
CAS Number
139314-01-5
TTD ID
D09PTA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_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 Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
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 800006532)
2 NXX-066 in patients with Alzheimer's disease: a bridging study. Life Sci. 1999;64(14):1215-21.