Details of the Drug

General Information of Drug (ID: DMBUH7E)

Drug Name
SM-10888
Synonyms AC1L52EB; 2,4-Methanoacridin-9-amine, 8-fluoro-1,2,3,4-tetrahydro-, 2-hydroxy-1,2,3-propanetricarboxylate (3:2)
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Discontinued in Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 420.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 5
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Chemical Identifiers
Formula
C20H21FN2O7
IUPAC Name
8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES
C1C2CC1C3=NC4=C(C(=CC=C4)F)C(=C3C2)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C14H13FN2.C6H8O7/c15-10-2-1-3-11-12(10)13(16)9-6-7-4-8(5-7)14(9)17-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3,7-8H,4-6H2,(H2,16,17);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
ZCELBELLETVSEJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6918149
TTD ID
D05UHJ

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 Cognitive impairment
ICD Disease Classification 6D71
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 800001320)
2 Pharmacological and biochemical assessment of SM-10888, a novel cholinesterase inhibitor. Jpn J Pharmacol. 1990 Jun;53(2):145-55.